Vitas-M small molecule compound
5-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
Catalog ID
STK112939
SMILES N#Cc1c(NC(=O)c2cccc3c2cccc3Br)sc2c1CCC(C2)C
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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 C21H17BrN2OS MW 425.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2OS/c1-12-8-9-15-17(11-23)21(26-19(15)10-12)24-20(25)16-6-2-5-14-13(16)4-3-7-18(14)22/h2-7,12H,8-10H2,1H3,(H,24,25)InChIKey
NFVHGMOUROWBMV-UHFFFAOYSA-NSynonyms
5bromoN(3cyano6methyl4567tetrahydro1benzothiophen2yl)naphthalene1carboxamide
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC4=C3C=CC=C4Br
InChI=1SC21H17BrN2OSc112891517(1123)21(2619(15)1012)2420(25)166251413(16)43718(14)22h2712H810H21H3(H2425)
MFCD03907770
ZINC000001127678
ZINC000001127680
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