Vitas-M small molecule compound
(2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]prop-2-enamide
Catalog ID
STK023087
SMILES C=CCc1cc(/C=C(/C(=O)Nc2nc3c(s2)cccc3)\C#N)cc(c1O)OC
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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/c1-3-6-14-9-13(11-17(27-2)19(14)25)10-15(12-22)20(26)24-21-23-16-7-4-5-8-18(16)28-21/h3-5,7-11,25H,1,6H2,2H3,(H,23,24,26)/b15-10+InChIKey
XJGIAKBYAUBGPP-XNTDXEJSSA-NSynonyms
(2E)N(13BENZOTHIAZOL2YL)2CYANO3(4HYDROXY3METHOXY5(PROP2EN1YL)PHENYL)PROP2ENAMIDE
(E)N(13BENZOTHIAZOL2YL)2CYANO3(4HYDROXY3METHOXY5PROP2ENYLPHENYL)PROP2ENAMIDE
C=CCc1cc(C=C(C(=O)Nc2nc3c(s2)cccc3)C#N)cc(c1O)OC
COC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2
InChI=1SC21H17N3O3Sc13614913(1117(272)19(14)25)1015(1222)20(26)24212316745818(16)2821h3571125H16H22H3(H232426)b1510+
MFCD05978673
STK023087
ZINC000004591285
ZINC04591285
ZINC4591285
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