Vitas-M small molecule compound
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2,4-dimethoxyphenyl)amino]prop-2-enenitrile
Catalog ID
STK803878
SMILES COc1ccc(c(c1)OC)N/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-25-15-4-5-16(19(8-15)26-2)23-10-14(9-22)21-24-17(11-29-21)13-3-6-18-20(7-13)28-12-27-18/h3-8,10-11,23H,12H2,1-2H3/b14-10-InChIKey
XRZZKYKTFKBTEM-UVTDQMKNSA-NSynonyms
(2Z)2(4(13benzodioxol5yl)13thiazol2yl)3((24dimethoxyphenyl)amino)prop2enenitrile
(Z)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(24DIMETHOXYANILINO)PROP2ENENITRILE
COC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC
COc1ccc(c(c1)OC)NC=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
InChI=1SC21H17N3O4Sc125154516(19(815)262)231014(922)212417(112921)13361820(713)28122718h38101123H12H212H3b1410
MFCD01828195
ZINC000002820697
ZINC02820697
ZINC2820697
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