Vitas-M small molecule compound
(2E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Catalog ID
STL017058
SMILES N#C/C(=C\c1ccc(c(c1)OC)O)/C(=O)Nc1ncc(s1)Cc1ccccc1
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-27-19-11-15(7-8-18(19)25)9-16(12-22)20(26)24-21-23-13-17(28-21)10-14-5-3-2-4-6-14/h2-9,11,13,25H,10H2,1H3,(H,23,24,26)/b16-9+InChIKey
MCNVIGAJXSJTJK-CXUHLZMHSA-NSynonyms
(2E)2CYANO3(4HYDROXY3METHOXYPHENYL)N(5BENZYL(13THIAZOL2YL))PROP2ENAMIDE
(2E)N(5benzyl13thiazol2yl)2cyano3(4hydroxy3methoxyphenyl)prop2enamide
(E)N(5benzyl13thiazol2yl)2cyano3(4hydroxy3methoxyphenyl)prop2enamide
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)O
InChI=1SC21H17N3O3Sc127191115(7818(19)25)916(1222)20(26)2421231317(2821)10145324614h29111325H10H21H3(H232426)b169+
MFCD02979176
N#CC(=Cc1ccc(c(c1)OC)O)C(=O)Nc1ncc(s1)Cc1ccccc1
ZINC000000954193
ZINC00954193
ZINC954193
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