Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-({(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)thiophene-2-carboxylate
Catalog ID
STK761941
SMILES CCOC(=O)c1sc(c(c1C)C#N)N/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C
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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 C21H18N4O5S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S/c1-4-30-20(28)16-12(3)14(9-22)18(31-16)23-10-15-17(26)24-21(29)25(19(15)27)13-7-5-6-11(2)8-13/h5-8,10,23H,4H2,1-3H3,(H,24,26,29)/b15-10-InChIKey
GGELWFMWGWAPNJ-GDNBJRDFSA-NSynonyms
4CYANO3METHYL5((246TRIOXO1MTOLYLTETRAHYDROPYRIMIDIN5YLIDENEMETHYL)AMINO)THIOPHENE2CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
ETHYL4CYANO3METHYL5(((1(3METHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(((Z)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)THIOPHENE2CARBOXYLATE
ethyl4cyano3methyl5(((Z)(1(3methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)thiophene2carboxylate
InChI=1SC21H18N4O5Sc143020(28)1612(3)14(922)18(3116)23101517(26)2421(29)25(19(15)27)1375611(2)813h581023H4H213H3(H242629)b1510
MFCD01052309
ZINC000006547842
ZINC06547842
ZINC6547842
Check stock
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Check stock on Vitas-MAvailable files
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