Vitas-M small molecule compound
2-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Catalog ID
STL295707
SMILES N#Cc1c(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)sc2c1CCC2
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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 C19H13ClN4O3S MW 412.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN4O3S/c20-10-4-6-11(7-5-10)24-18(26)14(16(25)23-19(24)27)9-22-17-13(8-21)12-2-1-3-15(12)28-17/h4-7,9,22H,1-3H2,(H,23,25,27)/b14-9-InChIKey
ILFBOEKFDMFCQL-ZROIWOOFSA-NSynonyms
2(((1(4CHLOROPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)AMINO)456TRIHYDROCYCLOPENTA(12B)THIOPHENE3CARBONITRILE
2(((1(4CHLOROPHENYL)4HYDROXY26DIOXO16DIHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBONITRILE
2(((Z)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBONITRILE
2(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
C1CC2=C(C1)SC(=C2C#N)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI=1SC19H13ClN4O3Sc20104611(7510)2418(26)14(16(25)2319(24)27)9221713(821)1221315(12)2817h47922H13H2(H232527)b149
MFCD01133027
N#Cc1c(NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)sc2c1CCC2
ZINC000005522264
ZINC05522264
ZINC5522264
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