Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK423161
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)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 C25H33NO5S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5S/c1-5-13-7-8-14-17(11-13)32-23(21(14)25(30)31-6-2)26-22(27)19-15-9-10-16(18(15)12(3)4)20(19)24(28)29/h13,15-16,19-20H,5-11H2,1-4H3,(H,26,27)(H,28,29)InChIKey
VAVYKRZJAZHPON-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((3(ethoxycarbonyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4CCC(C3C(=O)O)C4=C(C)C
InChI=1SC25H33NO5Sc1513781417(1113)3223(21(14)25(30)3162)2622(27)191591016(18(15)12(3)4)20(19)24(28)29h1315161920H511H214H3(H2627)(H2829)
MFCD02373462
ZINC000225633088
ZINC000239425708
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