Vitas-M small molecule compound
2-(3-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK192617
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccc(cc2)C)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 C34H32N4O4S2 MW 624.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N4O4S2/c1-19-9-11-23(12-10-19)35-31(40)29-26-7-5-6-8-28(26)44-33(29)37-20(2)17-22(21(37)3)18-27-30(39)36-34(43)38(32(27)41)24-13-15-25(42-4)16-14-24/h9-18H,5-8H2,1-4H3,(H,35,40)(H,36,39,43)/b27-18-InChIKey
LEQRUMMDJMNCOT-IMRQLAEWSA-NSynonyms
2(3((Z)(1(4methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)N(4methylphenyl)4567tetrahydro1benzothiophene3carboxamide
2(3((Z)(1(4methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)N(4methylphenyl)4567tetrahydro1benzothiophene3carboxamide
CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C(=CC(=C4C)C=C5C(=O)NC(=S)N(C5=O)C6=CC=C(C=C6)OC)C
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccc(cc2)C)CCCC3)C)C1=O
InChI=1SC34H32N4O4S2c11991123(121019)3531(40)2926756828(26)4433(29)3720(2)1722(21(37)3)182730(39)3634(43)38(32(27)41)24131525(424)161424h918H58H214H3(H3540)(H363943)b2718
MFCD02905013
ZINC000033353948
ZINC33353948
Check stock
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Check stock on Vitas-MAvailable files
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