Vitas-M small molecule compound
3-{[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471848
SMILES COC(=O)c1c(NC(=O)C2C3C=CC(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 C24H25NO5S MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5S/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/h5-9,14-15,18-19H,10H2,1-4H3,(H,25,26)(H,27,28)InChIKey
DPBLHHWDOSBSEZ-UHFFFAOYSA-NSynonyms
2((4(25dimethylphenyl)3methoxycarbonyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((4(25dimethylphenyl)3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(4(25DIMETHYLPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=CC(=C(C=C1)C)C2=C(SC(=C2C(=O)OC)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC24H25NO5Sc1115612(2)16(911)1713(3)3122(20(17)24(29)304)2521(26)18147815(1014)19(18)23(27)28h5914151819H10H214H3(H2526)(H2728)
MFCD06027397
ZINC000102344471
ZINC000239038645
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