Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Catalog ID
STK912960
SMILES N#C/C(=C\c1cc(C)c2c(c1)CC(O2)C)/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 C20H16N2OS MW 332.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2OS/c1-12-7-14(9-15-8-13(2)23-19(12)15)10-16(11-21)20-22-17-5-3-4-6-18(17)24-20/h3-7,9-10,13H,8H2,1-2H3/b16-10+InChIKey
TVSKAJGRJDYPBY-MHWRWJLKSA-NSynonyms
(2E)2(13benzothiazol2yl)3(27dimethyl23dihydro1benzofuran5yl)prop2enenitrile
(E)2(13benzothiazol2yl)3(27dimethyl23dihydro1benzofuran5yl)prop2enenitrile
CC1CC2=C(O1)C(=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)C
InChI=1SC20H16N2OSc112714(915813(2)2319(12)15)1016(1121)202217534618(17)2420h3791013H8H212H3b1610+
MFCD07427922
N#CC(=Cc1cc(C)c2c(c1)CC(O2)C)c1nc2c(s1)cccc2
ZINC000008917396
ZINC000008917397
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