Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK838041
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(c(c1)OC)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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-25-17-5-3-13(7-19(17)26-2)16-11-29-21(24-16)14(9-22)10-23-15-4-6-18-20(8-15)28-12-27-18/h3-8,10-11,23H,12H2,1-2H3/b14-10+InChIKey
YHELFWTVCFVVIU-GXDHUFHOSA-NSynonyms
378199-16-7(2E)3(13benzodioxol5ylamino)2(4(34dimethoxyphenyl)13thiazol2yl)prop2enenitrile
(2E)3(2H13BENZODIOXOL5YLAMINO)2(4(34DIMETHOXYPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(13BENZODIOXOL5YLAMINO)2(4(34DIMETHOXYPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5ylamino)2(4(34dimethoxyphenyl)thiazol2yl)acrylonitrile
378199167
COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCO4)C#N)OC
InChI=1SC21H17N3O4Sc125175313(719(17)262)16112921(2416)14(922)102315461820(815)28122718h38101123H12H212H3b1410+
MFCD02984087
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1ccc(c(c1)OC)OC
ZINC000001241011
ZINC01241011
ZINC1241011
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