Vitas-M small molecule compound
2-[(3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]-N-(2-methylphenyl)acetamide
Catalog ID
STK814723
SMILES COc1cc(CCN2C(=S)S/C(=C\3/c4ccccc4N(C3=O)CC(=O)Nc3ccccc3C)/C2=O)ccc1OC
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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 C30H27N3O5S2 MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O5S2/c1-18-8-4-6-10-21(18)31-25(34)17-33-22-11-7-5-9-20(22)26(28(33)35)27-29(36)32(30(39)40-27)15-14-19-12-13-23(37-2)24(16-19)38-3/h4-13,16H,14-15,17H2,1-3H3,(H,31,34)/b27-26-InChIKey
WDWHUWLXZZUMHZ-RQZHXJHFSA-NSynonyms
2((3Z)3(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)N(2METHYLPHENYL)ACETAMIDE
2((3Z)3(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)N(2methylphenyl)acetamide
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCC5=CC(=C(C=C5)OC)OC)C2=O
COc1cc(CCN2C(=S)SC(=C3c4ccccc4N(C3=O)CC(=O)Nc3ccccc3C)C2=O)ccc1OC
InChI=1SC30H27N3O5S2c1188461021(18)3125(34)1733221175920(22)26(28(33)35)2729(36)32(30(39)4027)151419121323(372)24(1619)383h41316H141517H213H3(H3134)b2726
MFCD04442288
ZINC000100872892
ZINC100872892
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