Vitas-M small molecule compound

3-{[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK471666
SMILES CCc1c(C)sc(c1C(=O)NCc1ccccc1)NC(=O)C1C2C=CC(C1C(=O)O)C2

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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 C24H26N2O4S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O4S/c1-3-17-13(2)31-23(20(17)21(27)25-12-14-7-5-4-6-8-14)26-22(28)18-15-9-10-16(11-15)19(18)24(29)30/h4-10,15-16,18-19H,3,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
InChIKey
RJYOJYCBZCJYTK-UHFFFAOYSA-N
Synonyms

2((3(benzylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(benzylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(4ETHYL5METHYL3(NBENZYLCARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)NCC2=CC=CC=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC24H26N2O4Sc131713(2)3123(20(17)21(27)2512147546814)2622(28)181591016(1115)19(18)24(29)30h41015161819H31112H212H3(H2527)(H2628)(H2930)
MFCD06026269
ZINC000102343524
ZINC000239403020

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Available files

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