Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK538025
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/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 C20H13N3O4S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O4S/c21-7-13(8-22-14-2-4-17-19(6-14)27-11-25-17)20-23-15(9-28-20)12-1-3-16-18(5-12)26-10-24-16/h1-6,8-9,22H,10-11H2/b13-8+InChIKey
IQNFUUIRMNYDFI-MDWZMJQESA-NSynonyms
377065-70-8(2E)3(13benzodioxol5ylamino)2(4(13benzodioxol5yl)13thiazol2yl)prop2enenitrile
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(benzo(d)(13)dioxol5ylamino)acrylonitrile
(E)3(13BENZODIOXOL5YLAMINO)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)PROP2ENENITRILE
377065708
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC5=C(C=C4)OCO5)C#N
InChI=1SC20H13N3O4Sc21713(82214241719(614)27112517)202315(92820)12131618(512)26102416h168922H1011H2b138+
MFCD02983854
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000001250006
ZINC01250006
ZINC1250006
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