Vitas-M small molecule compound
3-{[4-(4-ethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK467144
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc(c1c1ccc(cc1)CC)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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-4-14-5-7-15(8-6-14)18-13(2)32-23(21(18)25(30)31-3)26-22(27)19-16-9-11-17(12-10-16)20(19)24(28)29/h5-9,11,16-17,19-20H,4,10,12H2,1-3H3,(H,26,27)(H,28,29)InChIKey
UNIZUYUXBSQIRU-UHFFFAOYSA-NSynonyms
2((4(4ethylphenyl)3methoxycarbonyl5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((4(4ethylphenyl)3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(4(4ETHYLPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3C4CCC(C3C(=O)O)C=C4)C
InChI=1SC25H27NO5Sc14145715(8614)1813(2)3223(21(18)25(30)313)2622(27)191691117(121016)20(19)24(28)29h591116171920H41012H213H3(H2627)(H2829)
MFCD06027432
ZINC000102330564
ZINC000245226381
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