Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471652
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc(c1c1ccccc1)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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-12-16(13-6-4-3-5-7-13)19(23(28)29-2)21(30-12)24-20(25)17-14-8-10-15(11-9-14)18(17)22(26)27/h3-8,10,14-15,17-18H,9,11H2,1-2H3,(H,24,25)(H,26,27)InChIKey
OMOQBVIBVVQBHS-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl5methyl4phenylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(methoxycarbonyl)5methyl4phenylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(METHOXYCARBONYL)5METHYL4PHENYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C(=O)OC)C4=CC=CC=C4
InChI=1SC23H23NO5Sc11216(136435713)19(23(28)292)21(3012)2420(25)171481015(11914)18(17)22(26)27h381014151718H911H212H3(H2425)(H2627)
MFCD06027252
ZINC000102343411
ZINC000239173711
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