Vitas-M small molecule compound
methyl 2-({[2-(3-bromophenyl)quinolin-4-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK427456
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)Br)sc2c1CCC(C2)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 C30H29BrN2O3S MW 577.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29BrN2O3S/c1-30(2,3)18-12-13-21-25(15-18)37-28(26(21)29(35)36-4)33-27(34)22-16-24(17-8-7-9-19(31)14-17)32-23-11-6-5-10-20(22)23/h5-11,14,16,18H,12-13,15H2,1-4H3,(H,33,34)InChIKey
AISHDCYSDXCSTH-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br
InChI=1SC30H29BrN2O3Sc130(23)1812132125(1518)3728(26(21)29(35)364)3327(34)221624(1787919(31)1417)322311651020(22)23h511141618H121315H214H3(H3334)
methyl2(((2(3bromophenyl)quinolin4yl)carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(3bromophenyl)quinoline4carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
MFCD01358986
ZINC000002742740
ZINC000002742741
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