Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472072
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)CC3)sc(c1C)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 C18H23NO5S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO5S/c1-8-9(2)25-16(12(8)18(23)24-3)19-15(20)13-10-4-6-11(7-5-10)14(13)17(21)22/h10-11,13-14H,4-7H2,1-3H3,(H,19,20)(H,21,22)InChIKey
HKYBCLAHDXFLDA-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl45dimethylthiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(methoxycarbonyl)45dimethylthiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(METHOXYCARBONYL)45DIMETHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3CCC(C2C(=O)O)CC3)C
InChI=1SC18H23NO5Sc189(2)2516(12(8)18(23)243)1915(20)13104611(7510)14(13)17(21)22h10111314H47H213H3(H1920)(H2122)
MFCD06060578
ZINC000017075077
ZINC000017075080
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