Vitas-M small molecule compound

ethyl 4-cyano-3-methyl-5-{[(Z)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]amino}thiophene-2-carboxylate

Catalog ID
STL295683
SMILES CCOC(=O)c1sc(c(c1C)C#N)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1

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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 C20H16N4O5S MW 424.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O5S/c1-3-29-19(27)15-11(2)13(9-21)17(30-15)22-10-14-16(25)23-20(28)24(18(14)26)12-7-5-4-6-8-12/h4-8,10,22H,3H2,1-2H3,(H,23,25,28)/b14-10-
InChIKey
BOQWJHHOPXEXSG-UVTDQMKNSA-N
Synonyms

CCOC(=O)C1=C(C(=C(S1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=O)NC(=O)N(C1=O)c1ccccc1
ETHYL4CYANO3METHYL5(((246TRIOXO1PHENYL(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(((246TRIOXO1PHENYLTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)AMINO)2THIOPHENECARBOXYLATE
ethyl4cyano3methyl5(((Z)(246trioxo1phenyl13diazinan5ylidene)methyl)amino)thiophene2carboxylate
ethyl4cyano3methyl5(((Z)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)amino)thiophene2carboxylate
InChI=1SC20H16N4O5Sc132919(27)1511(2)13(921)17(3015)22101416(25)2320(28)24(18(14)26)127546812h481022H3H212H3(H232528)b1410
MFCD01052151
ZINC000008424749
ZINC08424749
ZINC8424749

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Available files

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