Vitas-M small molecule compound

3-{[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK400560
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3)sc(c1c1cc(C)ccc1C)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 C24H27NO5S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5S/c1-11-5-6-12(2)16(9-11)17-13(3)31-22(20(17)24(29)30-4)25-21(26)18-14-7-8-15(10-14)19(18)23(27)28/h5-6,9,14-15,18-19H,7-8,10H2,1-4H3,(H,25,26)(H,27,28)
InChIKey
TUIANXONBNCETF-UHFFFAOYSA-N
Synonyms
294894-05-6
2((4(25DIMETHYLPHENYL)3METHOXYCARBONYL5METHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
294894056
3((4(25dimethylphenyl)3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
CC1=CC(=C(C=C1)C)C2=C(SC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O)C
InChI=1SC24H27NO5Sc1115612(2)16(911)1713(3)3122(20(17)24(29)304)2521(26)18147815(1014)19(18)23(27)28h56914151819H7810H214H3(H2526)(H2728)
MFCD01924248
ZINC000100684677
ZINC000137507352

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Available files

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