Vitas-M small molecule compound

propan-2-yl 2-[(biphenyl-4-ylcarbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK437749
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)NC(=O)c1ccc(cc1)c1ccccc1)CC

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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 C27H30N2O4S MW 478.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S/c1-6-29(7-2)26(31)23-18(5)22(27(32)33-17(3)4)25(34-23)28-24(30)21-15-13-20(14-16-21)19-11-9-8-10-12-19/h8-17H,6-7H2,1-5H3,(H,28,30)
InChIKey
RRSDAHLAWHVRNH-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)C)C
InChI=1SC27H30N2O4Sc1629(72)26(31)2318(5)22(27(32)3317(3)4)25(3423)2824(30)21151320(141621)191198101219h817H67H215H3(H2830)
ISOPROPYL2(((11BIPHENYL)4YLCARBONYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
METHYLETHYL5(NNDIETHYLCARBAMOYL)4METHYL2((4PHENYLPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD01345984
propan2yl2((biphenyl4ylcarbonyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
PROPAN2YL5(DIETHYLCARBAMOYL)4METHYL2((4PHENYLBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ZINC000002739251
ZINC02739251
ZINC2739251

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Available files

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