Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-{1-[(2-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}ethyl)amino]ethylidene}dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL549002
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCS(=O)(=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 C31H33N3O9S MW 623.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O9S/c1-15-27(38)25(17(3)35)29-26(28(15)39)31(4)22(43-29)11-21(36)24(30(31)40)16(2)32-8-9-44(41,42)33-12-18-10-19(14-33)20-6-5-7-23(37)34(20)13-18/h5-7,11,18-19,32,38-39H,8-10,12-14H2,1-4H3/b24-16+/t18-,19+,31-/m0/s1InChIKey
DEIWOTCKEMMQCU-SDTPJZISSA-NSynonyms
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((2(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)sulfonyl)ethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((2(((1R5R)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)sulfonyl)ethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCS(=O)(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC31H33N3O9Sc11527(38)25(17(3)35)2926(28(15)39)31(4)22(4329)1121(36)24(30(31)40)16(2)328944(4142)3312181019(1433)2065723(37)34(20)1318h57111819323839H8101214H214H3b2416+t1819+31m0s1
ZINC000253399664
Check stock
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Check stock on Vitas-MAvailable files
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