Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]prop-2-enenitrile
Catalog ID
STK950778
SMILES N#C/C(=C\c1ccc(n1C)c1ccc(cc1)Br)/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 C21H14BrN3S MW 420.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3S/c1-25-17(10-11-19(25)14-6-8-16(22)9-7-14)12-15(13-23)21-24-18-4-2-3-5-20(18)26-21/h2-12H,1H3/b15-12+InChIKey
XDKZTSMFGGWBKX-NTCAYCPXSA-NSynonyms
(2E)2(13benzothiazol2yl)3(5(4bromophenyl)1methyl1Hpyrrol2yl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(5(4BROMOPHENYL)1METHYLPYRROL2YL)PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(5(4BROMOPHENYL)1METHYLPYRROL2YL)PROP2ENENITRILE
CN1C(=CC=C1C2=CC=C(C=C2)Br)C=C(C#N)C3=NC4=CC=CC=C4S3
InChI=1SC21H14BrN3Sc12517(101119(25)146816(22)9714)1215(1323)212418423520(18)2621h212H1H3b1512+
MFCD04158207
N#CC(=Cc1ccc(n1C)c1ccc(cc1)Br)c1nc2c(s1)cccc2
ZINC000016361647
ZINC16361647
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