Vitas-M small molecule compound
2-(3-{(Z)-[3-(butan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK157384
SMILES CCC(N1C(=O)S/C(=C\c2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C)/C1=O)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 C29H31N3O3S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S2/c1-5-17(2)32-27(34)24(37-29(32)35)16-20-15-18(3)31(19(20)4)28-25(22-13-9-10-14-23(22)36-28)26(33)30-21-11-7-6-8-12-21/h6-8,11-12,15-17H,5,9-10,13-14H2,1-4H3,(H,30,33)/b24-16-InChIKey
IRJSNXUMDRBXHW-JLPGSUDCSA-NSynonyms
2(3((Z)(3(butan2yl)24dioxo13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2(3((Z)(3butan2yl24dioxo13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
CCC(C)N1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C(=O)NC5=CC=CC=C5)C)SC1=O
CCC(N1C(=O)SC(=Cc2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C)C1=O)C
InChI=1SC29H31N3O3S2c1517(2)3227(34)24(3729(32)35)16201518(3)31(19(20)4)2825(22139101423(22)3628)26(33)3021117681221h6811121517H59101314H214H3(H3033)b2416
MFCD03729409
ZINC000097960416
ZINC000097960417
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