Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[5-(3,5-dichlorophenyl)-1-methyl-1H-pyrrol-2-yl]prop-2-enenitrile
Catalog ID
STK953291
SMILES N#C/C(=C\c1ccc(n1C)c1cc(Cl)cc(c1)Cl)/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 C21H13Cl2N3S MW 410.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2N3S/c1-26-17(6-7-19(26)13-8-15(22)11-16(23)9-13)10-14(12-24)21-25-18-4-2-3-5-20(18)27-21/h2-11H,1H3/b14-10+InChIKey
MLLATYCAEMDVHL-GXDHUFHOSA-NSynonyms
(2E)2(13benzothiazol2yl)3(5(35dichlorophenyl)1methyl1Hpyrrol2yl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(5(35DICHLOROPHENYL)1METHYLPYRROL2YL)PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(5(35DICHLOROPHENYL)1METHYLPYRROL2YL)PROP2ENENITRILE
CN1C(=CC=C1C2=CC(=CC(=C2)Cl)Cl)C=C(C#N)C3=NC4=CC=CC=C4S3
InChI=1SC21H13Cl2N3Sc12617(6719(26)13815(22)1116(23)913)1014(1224)212518423520(18)2721h211H1H3b1410+
MFCD06373497
N#CC(=Cc1ccc(n1C)c1cc(Cl)cc(c1)Cl)c1nc2c(s1)cccc2
ZINC000006862173
ZINC06862173
ZINC6862173
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