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-(3,4-dimethylphenyl)acetamide

Catalog ID
STK814052
SMILES COc1cc(CCN2C(=S)S/C(=C\3/c4ccccc4N(C3=O)CC(=O)Nc3ccc(c(c3)C)C)/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 C31H29N3O5S2 MW 587.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5S2/c1-18-9-11-21(15-19(18)2)32-26(35)17-34-23-8-6-5-7-22(23)27(29(34)36)28-30(37)33(31(40)41-28)14-13-20-10-12-24(38-3)25(16-20)39-4/h5-12,15-16H,13-14,17H2,1-4H3,(H,32,35)/b28-27-
InChIKey
JPEXIMVEEIOQLT-DQSJHHFOSA-N
Synonyms
618076-04-3
2((3Z)3(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)N(34DIMETHYLPHENYL)ACETAMIDE
2((3Z)3(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)N(34dimethylphenyl)acetamide
2(3(3(34DIMETHOXYPHENETHYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)N(34DIMETHYLPHENYL)ACETAMIDE
618076043
CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCC5=CC(=C(C=C5)OC)OC)C2=O)C
COc1cc(CCN2C(=S)SC(=C3c4ccccc4N(C3=O)CC(=O)Nc3ccc(c(c3)C)C)C2=O)ccc1OC
InChI=1SC31H29N3O5S2c11891121(1519(18)2)3226(35)173423865722(23)27(29(34)36)2830(37)33(31(40)4128)141320101224(383)25(1620)394h5121516H131417H214H3(H3235)b2827
MFCD04441919
ZINC000100872043
ZINC100872043

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Available files

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