Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424161
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3)sc2c1CCC(C2)CC
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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/c1-3-11-5-8-14-15(9-11)29-20(18(14)22(27)28-4-2)23-19(24)16-12-6-7-13(10-12)17(16)21(25)26/h11-13,16-17H,3-10H2,1-2H3,(H,23,24)(H,25,26)InChIKey
GJQWCOQFTRRDFP-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3(ethoxycarbonyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC22H29NO5Sc1311581415(911)2920(18(14)22(27)2842)2319(24)16126713(1012)17(16)21(25)26h11131617H310H212H3(H2324)(H2526)
MFCD01922606
ZINC000222243719
ZINC000239306084
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