Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK868950
SMILES N#C/C(=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])/c1nc2c(s1)cccc2
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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 C20H11N3O3S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11N3O3S/c21-12-13(20-22-16-6-2-4-8-19(16)27-20)11-14-9-10-18(26-14)15-5-1-3-7-17(15)23(24)25/h1-11H/b13-11+InChIKey
GKNPZMIWKJXCAR-ACCUITESSA-NSynonyms
(2E)2(13benzothiazol2yl)3(5(2nitrophenyl)furan2yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(5(2NITROPHENYL)FURAN2YL)PROP2ENENITRILE
C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3)(N+)(=O)(O)
InChI=1SC20H11N3O3Sc211213(202216624819(16)2720)111491018(2614)15513717(15)23(24)25h111Hb1311+
MFCD03212344
N#CC(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))c1nc2c(s1)cccc2
ZINC000005234326
ZINC05234326
ZINC5234326
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