Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
Catalog ID
STK536741
SMILES N#C/C(=C\Nc1ccc2c(c1)OCCO2)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C21H15N3O4S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O4S/c22-9-14(10-23-15-2-4-17-20(8-15)26-6-5-25-17)21-24-16(11-29-21)13-1-3-18-19(7-13)28-12-27-18/h1-4,7-8,10-11,23H,5-6,12H2/b14-10+InChIKey
ADDMPSAUIYZVHO-GXDHUFHOSA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3(23dihydro14benzodioxin6ylamino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(23DIHYDRO14BENZODIOXIN6YLAMINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((23dihydrobenzo(b)(14)dioxin6yl)amino)acrylonitrile
C1COC2=C(O1)C=CC(=C2)NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H15N3O4Sc22914(102315241720(815)26652517)212416(112921)13131819(713)28122718h1478101123H5612H2b1410+
MFCD02984062
N#CC(=CNc1ccc2c(c1)OCCO2)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000001817275
ZINC01817275
ZINC1817275
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