Vitas-M small molecule compound

3-{[5-benzyl-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

Catalog ID
STK471162
SMILES CCOC(=O)c1cc(sc1NC(=O)C1C2CCC(C1C(=O)O)C=C2)Cc1ccccc1

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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 C24H25NO5S MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5S/c1-2-30-24(29)18-13-17(12-14-6-4-3-5-7-14)31-22(18)25-21(26)19-15-8-10-16(11-9-15)20(19)23(27)28/h3-8,10,13,15-16,19-20H,2,9,11-12H2,1H3,(H,25,26)(H,27,28)
InChIKey
VREVFPQHYFQJQQ-UHFFFAOYSA-N
Synonyms

2((5benzyl3ethoxycarbonylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((5benzyl3(ethoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(ETHOXYCARBONYL)5BENZYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC24H25NO5Sc123024(29)181317(12146435714)3122(18)2521(26)191581016(11915)20(19)23(27)28h38101315161920H291112H21H3(H2526)(H2728)
MFCD06022454
ZINC000102341471
ZINC000239235272

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Available files

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