Vitas-M small molecule compound
3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL551861
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C43H51N3O11 MW 785.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H51N3O11/c1-25-10-8-13-30(47)12-7-5-6-11-27-17-33(48)40(41(52)39(27)43(53)57-25)31(28-18-34(54-2)42(56-4)35(19-28)55-3)20-36(49)44-21-38(51)45-22-26-16-29(24-45)32-14-9-15-37(50)46(32)23-26/h6,9,11,14-15,17-19,25-26,29,31,48,52H,5,7-8,10,12-13InChIKey
GFNHJWFIUNGFJD-BBKXSCFXSA-NSynonyms
135640195
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2oxo2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2oxo2((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC43H51N3O11c1251081330(47)1275611271733(48)40(41(52)39(27)43(53)5725)31(281834(542)42(564)35(1928)553)2036(49)442138(51)4522261629(2445)321491537(50)46(32)2326h691114151719252629314852H578101213162024H214H3(H4449)b116+t2526+2931?m0s1
ZINC001547208830
ZINC001547208831
Check stock
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