Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK839040
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1cccc(c1)Br
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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 C19H12BrN3O2S MW 426.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrN3O2S/c20-14-3-1-2-12(6-14)16-10-26-19(23-16)13(8-21)9-22-15-4-5-17-18(7-15)25-11-24-17/h1-7,9-10,22H,11H2/b13-9+InChIKey
BUDGHLDPIRDQJG-UKTHLTGXSA-NSynonyms
377056-11-6(2E)3(13benzodioxol5ylamino)2(4(3bromophenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YLAMINO)2(4(3BROMOPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5ylamino)2(4(3bromophenyl)thiazol2yl)acrylonitrile
377056116
C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)Br
InChI=1SC19H12BrN3O2Sc201431212(614)16102619(2316)13(821)92215451718(715)25112417h1791022H11H2b139+
MFCD02982735
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1cccc(c1)Br
ZINC000001250184
ZINC01250184
ZINC1250184
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