Vitas-M small molecule compound
ethyl (2'Z)-5'-amino-6'-cyano-2'-(2-methoxy-2-oxoethylidene)-2,3'-dioxo-1,2,2',3'-tetrahydrospiro[indole-3,7'-[1,3]thiazolo[3,2-a]pyridine]-8'-carboxylate
Catalog ID
STL447773
SMILES CCOC(=O)C1=c2s/c(=C\C(=O)OC)/c(=O)n2C(=C(C21C(=O)Nc1c2cccc1)C#N)N
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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 C21H16N4O6S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6S/c1-3-31-19(28)15-18-25(17(27)13(32-18)8-14(26)30-2)16(23)11(9-22)21(15)10-6-4-5-7-12(10)24-20(21)29/h4-8H,3,23H2,1-2H3,(H,24,29)/b13-8-InChIKey
WGUGDKWBZZDKLU-JYRVWZFOSA-NSynonyms
CCOC(=O)C1=C2N(C(=C(C13C4=CC=CC=C4NC3=O)C#N)N)C(=O)C(=CC(=O)OC)S2
CCOC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(=C(C21C(=O)Nc1c2cccc1)C#N)N
ethyl(2Z)5amino6cyano2(2methoxy2oxoethylidene)23dioxo1223tetrahydrospiro(indole37(13)thiazolo(32a)pyridine)8carboxylate
ETHYL(2Z)5AMINO6CYANO2(2METHOXY2OXOETHYLIDENE)23DIOXOSPIRO(1HINDOLE37(13)THIAZOLO(32A)PYRIDINE)8CARBOXYLATE
InChI=1SC21H16N4O6Sc133119(28)151825(17(27)13(3218)814(26)302)16(23)11(922)21(15)10645712(10)2420(21)29h48H323H212H3(H2429)b138
MFCD06242183
ZINC000003770012
ZINC000003770014
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