Vitas-M small molecule compound
2-(3-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK189635
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C)/C1=O
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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 C34H32N4O3S2 MW 608.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N4O3S2/c1-4-22-14-16-25(17-15-22)38-32(41)27(30(39)36-34(38)42)19-23-18-20(2)37(21(23)3)33-29(26-12-8-9-13-28(26)43-33)31(40)35-24-10-6-5-7-11-24/h5-7,10-11,14-19H,4,8-9,12-13H2,1-3H3,(H,35,40)(H,36,39,42)/b27-19-InChIKey
BKFKXYVRKWWHDE-DIBXZPPDSA-NSynonyms
2(3((Z)(1(4ethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2(3((Z)(1(4ethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C(=O)NC6=CC=CC=C6)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C)C1=O
InChI=1SC34H32N4O3S2c1422141625(171522)3832(41)27(30(39)3634(38)42)19231820(2)37(21(23)3)3329(2612891328(26)4333)31(40)3524106571124h5710111419H4891213H213H3(H3540)(H363942)b2719
MFCD02379246
ZINC000097960946
ZINC97960946
Check stock
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Check stock on Vitas-MAvailable files
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