Vitas-M small molecule compound
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK788771
SMILES COc1ccc(c(c1)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N)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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c1-24-16-4-6-18(25-2)14(8-16)7-15(10-22)21-23-17(11-28-21)13-3-5-19-20(9-13)27-12-26-19/h3-9,11H,12H2,1-2H3/b15-7-InChIKey
IPYSBQOAJGSGLV-CHHVJCJISA-NSynonyms
342377-43-9(2Z)2(4(13benzodioxol5yl)13thiazol2yl)3(25dimethoxyphenyl)prop2enenitrile
(Z)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(25DIMETHOXYPHENYL)PROP2ENENITRILE
(Z)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(25dimethoxyphenyl)acrylonitrile
342377439
COC1=CC(=C(C=C1)OC)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
COc1ccc(c(c1)C=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N)OC
InChI=1SC21H16N2O4Sc124164618(252)14(816)715(1022)212317(112821)13351920(913)27122619h3911H12H212H3b157
MFCD01646471
ZINC000004859708
ZINC04859708
ZINC4859708
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