Vitas-M small molecule compound

methyl 4-(biphenyl-4-yl)-2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK452116
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1scc(c1C(=O)OC)c1ccc(cc1)c1ccccc1

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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 C31H31NO6S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6S/c1-5-36-25-17-23(18-26(37-6-2)28(25)38-7-3)29(33)32-30-27(31(34)35-4)24(19-39-30)22-15-13-21(14-16-22)20-11-9-8-10-12-20/h8-19H,5-7H2,1-4H3,(H,32,33)
InChIKey
XCHJDTLBCNYNHR-UHFFFAOYSA-N
Synonyms

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OC
InChI=1SC31H31NO6Sc1536251723(1826(3762)28(25)3873)29(33)323027(31(34)354)24(193930)22151321(141622)201198101220h819H57H214H3(H3233)
METHYL4(11BIPHENYL)4YL2((345TRIETHOXYBENZOYL)AMINO)3THIOPHENECARBOXYLATE
METHYL4(4PHENYLPHENYL)2((345TRIETHOXYBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4(4PHENYLPHENYL)2((345TRIETHOXYPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
methyl4(biphenyl4yl)2(((345triethoxyphenyl)carbonyl)amino)thiophene3carboxylate
MFCD03757581
ZINC000008456226
ZINC08456226
ZINC8456226

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Available files

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