Vitas-M small molecule compound
6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
Catalog ID
STK427474
SMILES CCCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1sc2c(c1C#N)CCCC2)Br
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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 C29H26BrN3OS MW 544.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3OS/c1-2-3-6-18-9-11-19(12-10-18)26-16-23(22-15-20(30)13-14-25(22)32-26)28(34)33-29-24(17-31)21-7-4-5-8-27(21)35-29/h9-16H,2-8H2,1H3,(H,33,34)InChIKey
MBKHFZDTFVDYHF-UHFFFAOYSA-NSynonyms
6bromo2(4butylphenyl)N(3cyano4567tetrahydro1benzothiophen2yl)quinoline4carboxamide
CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N
InChI=1SC29H26BrN3OSc12361891119(121018)261623(221520(30)131425(22)3226)28(34)332924(1731)21745827(21)3529h916H28H21H3(H3334)
MFCD02612444
ZINC000002783254
ZINC02783254
ZINC2783254
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