Vitas-M small molecule compound
2-methoxy-4-[(E)-(3-{[(4-methylphenyl)carbonyl]amino}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Catalog ID
STK809179
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C\1/SC(=S)N(C1=O)NC(=O)c1ccc(cc1)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 C27H22N2O5S2 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S2/c1-16-4-9-19(10-5-16)24(30)28-29-25(31)23(36-27(29)35)15-18-8-13-21(22(14-18)33-3)34-26(32)20-11-6-17(2)7-12-20/h4-15H,1-3H3,(H,28,30)/b23-15+InChIKey
JAZDMWQSRHZELQ-HZHRSRAPSA-NSynonyms
(2METHOXY4((E)(3((4METHYLBENZOYL)AMINO)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4METHYLBENZOATE
2methoxy4((E)(3(((4methylphenyl)carbonyl)amino)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)C)OC)SC2=S
COc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C
InChI=1SC27H22N2O5S2c1164919(10516)24(30)282925(31)23(3627(29)35)151881321(22(1418)333)3426(32)2011617(2)71220h415H13H3(H2830)b2315+
MFCD03461239
ZINC000016790594
ZINC16790594
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