Vitas-M small molecule compound
4-[(1Z)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-en-1-yl]-2-ethoxyphenyl 4-chlorobenzoate
Catalog ID
STK473596
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C(\C(=O)Nc1nccs1)/C#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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c1-2-29-19-12-14(11-16(13-24)20(27)26-22-25-9-10-31-22)3-8-18(19)30-21(28)15-4-6-17(23)7-5-15/h3-12H,2H2,1H3,(H,25,26,27)/b16-11-InChIKey
GRKQLBVJPRYARM-WJDWOHSUSA-NSynonyms
(4((Z)2cyano3oxo3(13thiazol2ylamino)prop1enyl)2ethoxyphenyl)4chlorobenzoate
4((1Z)2CYANO2(N(13THIAZOL2YL)CARBAMOYL)VINYL)2ETHOXYPHENYL4CHLOROBENZOATE
4((1Z)2cyano3oxo3(13thiazol2ylamino)prop1en1yl)2ethoxyphenyl4chlorobenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=CS2)OC(=O)C3=CC=C(C=C3)Cl
CCOc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C=C(C(=O)Nc1nccs1)C#N
InChI=1SC22H16ClN3O4Sc1229191214(1116(1324)20(27)2622259103122)3818(19)3021(28)154617(23)7515h312H2H21H3(H252627)b1611
MFCD07092953
ZINC000020175847
ZINC20175847
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