Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-enenitrile
Catalog ID
STL023249
SMILES COc1ccc2c(c1)cc(c(n2)Cl)/C=C(/c1nc2c(s1)cccc2)\C#N
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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 C20H12ClN3OS MW 377.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12ClN3OS/c1-25-15-6-7-16-12(10-15)8-13(19(21)23-16)9-14(11-22)20-24-17-4-2-3-5-18(17)26-20/h2-10H,1H3/b14-9+InChIKey
SAJLVTHIONRYRN-NTEUORMPSA-NSynonyms
(2E)2(13benzothiazol2yl)3(2chloro6methoxyquinolin3yl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(2CHLORO6METHOXY(3QUINOLYL))PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(2CHLORO6METHOXYQUINOLIN3YL)PROP2ENENITRILE
(E)2BENZOTHIAZOL2YL3(2CHLORO6METHOXYQUINOLIN3YL)ACRYLONITRILE
COC1=CC2=CC(=C(N=C2C=C1)Cl)C=C(C#N)C3=NC4=CC=CC=C4S3
COc1ccc2c(c1)cc(c(n2)Cl)C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC20H12ClN3OSc12515671612(1015)813(19(21)2316)914(1122)202417423518(17)2620h210H1H3b149+
MFCD09760357
ZINC000007156624
ZINC07156624
ZINC7156624
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