Vitas-M small molecule compound
6-bromo-2-(4-tert-butylphenyl)-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
Catalog ID
STK426046
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)C(C)(C)C)(C)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 C34H38BrN3O2S MW 632.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38BrN3O2S/c1-7-34(5,6)21-12-14-23-28(16-21)41-32(29(23)30(36)39)38-31(40)25-18-27(37-26-15-13-22(35)17-24(25)26)19-8-10-20(11-9-19)33(2,3)4/h8-11,13,15,17-18,21H,7,12,14,16H2,1-6H3,(H2,36,39)(H,38,40)InChIKey
SEGXZEHAJCXXSE-UHFFFAOYSA-NSynonyms
6bromo2(4tertbutylphenyl)N(3carbamoyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)quinoline4carboxamide
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC34H38BrN3O2Sc1734(56)2112142328(1621)4132(29(23)30(36)39)3831(40)251827(3726151322(35)1724(25)26)1981020(11919)33(23)4h8111315171821H7121416H216H3(H23639)(H3840)
MFCD02608387
ZINC000008454555
ZINC000008454556
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