Vitas-M small molecule compound
ethyl 5-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STL295658
SMILES CCOC(=O)c1sc(c(c1C)C#N)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C20H15ClN4O5S MW 458.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O5S/c1-3-30-19(28)15-10(2)13(8-22)17(31-15)23-9-14-16(26)24-20(29)25(18(14)27)12-6-4-11(21)5-7-12/h4-7,9,23H,3H2,1-2H3,(H,24,26,29)/b14-9-InChIKey
BHFFCQFZCPHNCM-ZROIWOOFSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
ETHYL5(((1(4CHLOROPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5(((Z)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ethyl5(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4cyano3methylthiophene2carboxylate
InChI=1SC20H15ClN4O5Sc133019(28)1510(2)13(822)17(3115)2391416(26)2420(29)25(18(14)27)126411(21)5712h47923H3H212H3(H242629)b149
MFCD01052496
ZINC000013590379
ZINC13590379
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