Vitas-M small molecule compound

ethyl 4-(biphenyl-4-yl)-2-({(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate

Catalog ID
STK869575
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)c1ccccc1)NC(=O)/C=C/c1ccc(cc1)N(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 C30H28N2O3S MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O3S/c1-4-35-30(34)28-26(24-15-13-23(14-16-24)22-8-6-5-7-9-22)20-36-29(28)31-27(33)19-12-21-10-17-25(18-11-21)32(2)3/h5-20H,4H2,1-3H3,(H,31,33)/b19-12+
InChIKey
XJMYBPFKOYFUHX-XDHOZWIPSA-N
Synonyms
312940-30-0
(E)ethyl4((11biphenyl)4yl)2(3(4(dimethylamino)phenyl)acrylamido)thiophene3carboxylate
312940300
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C=CC4=CC=C(C=C4)N(C)C
CCOC(=O)c1c(scc1c1ccc(cc1)c1ccccc1)NC(=O)C=Cc1ccc(cc1)N(C)C
ethyl2(((E)3(4(dimethylamino)phenyl)prop2enoyl)amino)4(4phenylphenyl)thiophene3carboxylate
ETHYL2(((E)3(4DIMETHYLAMINOPHENYL)PROP2ENOYL)AMINO)4(4PHENYLPHENYL)THIOPHENE3CARBOXYLATE
ETHYL4(11BIPHENYL)4YL2((3(4(DIMETHYLAMINO)PHENYL)ACRYLOYL)AMINO)3THIOPHENECARBOXYLATE
ethyl4(biphenyl4yl)2(((2E)3(4(dimethylamino)phenyl)prop2enoyl)amino)thiophene3carboxylate
InChI=1SC30H28N2O3Sc143530(34)2826(24151323(141624)228657922)203629(28)3127(33)191221101725(181121)32(2)3h520H4H213H3(H3133)b1912+
MFCD01945277
ZINC000002060035
ZINC02060035
ZINC2060035

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Available files

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