Vitas-M small molecule compound
2-[4-({3-(ethoxycarbonyl)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophen-2-yl}carbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK687079
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(c3=O)C(=O)O)sc(c1C)C(=O)Nc1ccccc1C
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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 C31H33N7O6S2 MW 663.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N7O6S2/c1-5-36-16-20(28(41)42)23(39)19-15-32-30(34-25(19)36)37-11-13-38(14-12-37)31(45)35-27-22(29(43)44-6-2)18(4)24(46-27)26(40)33-21-10-8-7-9-17(21)3/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,33,40)(H,35,45)(H,41,42)InChIKey
PSEZIOVVTAJKGP-UHFFFAOYSA-NSynonyms
898057-07-32(4((3(ethoxycarbonyl)4methyl5((2methylphenyl)carbamoyl)thiophen2yl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((3ETHOXYCARBONYL4METHYL5((2METHYLPHENYL)CARBAMOYL)THIOPHEN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C(=C(S4)C(=O)NC5=CC=CC=C5C)C)C(=O)OCC)C(=O)O
Registry IDs
MFCD06735586ZINC000098008168
ZINC98008168
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