Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({[2-(3-propoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK422322
SMILES CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OCC)CCC(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 C34H38N2O4S MW 570.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O4S/c1-6-17-40-23-12-10-11-21(18-23)28-20-26(24-13-8-9-14-27(24)35-28)31(37)36-32-30(33(38)39-7-2)25-16-15-22(34(3,4)5)19-29(25)41-32/h8-14,18,20,22H,6-7,15-17,19H2,1-5H3,(H,36,37)InChIKey
XSVVRIJFMTXBEC-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OCC
ethyl6tertbutyl2(((2(3propoxyphenyl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(3propoxyphenyl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC34H38N2O4Sc1617402312101121(1823)282026(2413891427(24)3528)31(37)363230(33(38)3972)25161522(34(34)5)1929(25)4132h814182022H67151719H215H3(H3637)
MFCD02176643
ZINC000002759464
ZINC000002759465
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