Vitas-M small molecule compound
2-({(Z)-[1-(3-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Catalog ID
STL170970
SMILES N#Cc1c(N/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)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/c20-10-3-1-4-11(7-10)24-18(26)14(16(25)23-19(24)27)9-22-17-13(8-21)12-5-2-6-15(12)28-17/h1,3-4,7,9,22H,2,5-6H2,(H,23,25,27)/b14-9-InChIKey
NKBVEHZOEWDLIR-ZROIWOOFSA-NSynonyms
354995-36-12(((Z)(1(3CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBONITRILE
2(((Z)(1(3chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
354995361
C1CC2=C(C1)SC(=C2C#N)NC=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl
InChI=1SC19H13ClN4O3Sc201031411(710)2418(26)14(16(25)2319(24)27)9221713(821)1252615(12)2817h1347922H256H2(H232527)b149
MFCD01178226
N#Cc1c(NC=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Cl)sc2c1CCC2
ZINC000015930175
ZINC15930175
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