Vitas-M small molecule compound
3-{[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472018
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-3-11-4-9-14-15(10-11)29-20(18(14)22(27)28-2)23-19(24)16-12-5-7-13(8-6-12)17(16)21(25)26/h11-13,16-17H,3-10H2,1-2H3,(H,23,24)(H,25,26)InChIKey
MQOFZXYEVFMXSR-UHFFFAOYSA-NSynonyms
2((6ethyl3methoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((6ethyl3(methoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC22H29NO5Sc1311491415(1011)2920(18(14)22(27)282)2319(24)16125713(8612)17(16)21(25)26h11131617H310H212H3(H2324)(H2526)
MFCD06060106
ZINC000017091900
ZINC000239159704
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