Vitas-M small molecule compound

methyl 2-({[2-(4-butoxyphenyl)quinolin-4-yl]carbonyl}amino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Catalog ID
STK426327
SMILES CCCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1scc(c1C(=O)OC)c1ccc(c(c1)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 C34H32N2O4S MW 564.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O4S/c1-5-6-17-40-25-15-13-23(14-16-25)30-19-27(26-9-7-8-10-29(26)35-30)32(37)36-33-31(34(38)39-4)28(20-41-33)24-12-11-21(2)22(3)18-24/h7-16,18-20H,5-6,17H2,1-4H3,(H,36,37)
InChIKey
TYDUFLJMEXSVBF-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC(=C(C=C5)C)C)C(=O)OC
InChI=1SC34H32N2O4Sc156174025151323(141625)301927(269781029(26)3530)32(37)363331(34(38)394)28(204133)24121121(2)22(3)1824h7161820H5617H214H3(H3637)
METHYL2(((2(4BUTOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)4(34DIMETHYLPHENYL)3THIOPHENECARBOXYLATE
methyl2(((2(4butoxyphenyl)quinolin4yl)carbonyl)amino)4(34dimethylphenyl)thiophene3carboxylate
METHYL2((2(4BUTOXYPHENYL)QUINOLINE4CARBONYL)AMINO)4(34DIMETHYLPHENYL)THIOPHENE3CARBOXYLATE
METHYL4(34DIMETHYLPHENYL)2((2(4BUTOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02244598
ZINC000002105823
ZINC02105823
ZINC2105823

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.