Vitas-M small molecule compound
(12Z,14E,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Catalog ID
STK177292
SMILES COC1/C=C/OC2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\C(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)/C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C37H45NO12 MW 695.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-InChIKey
BTVYFIMKUHNOBZ-AEZIOYLSSA-NSynonyms
(12Z14E24E)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
(7S9Z11S12R13S14R15R16S17S18S19E21Z)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13ylacetate
CC1C=CC=C(C(=O)NC2=CC(=O)C3=C4C(=C(C(=C3C2=O)O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=C(C@@H)((C@@H)((C@@H)((C@H)((C@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C
COC1C=COC2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C
InChI=1SC37H45NO12c11611101217(2)36(46)38231524(40)2627(32(23)44)31(43)21(6)3428(26)35(45)37(85034)48141325(479)18(3)33(4922(7)39)20(5)30(42)19(4)29(16)41h10161820252930334143H19H3(H3846)b1110+1413+1712
MFCD03262087
ZINC000239025564
ZINC000239025567
ZINC000252428385
ZINC000252428388
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.