Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK441694
SMILES CCOC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCCCCC2
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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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-2-28-22(27)18-14-7-5-3-4-6-8-15(14)29-20(18)23-19(24)16-12-9-10-13(11-12)17(16)21(25)26/h9-10,12-13,16-17H,2-8,11H2,1H3,(H,23,24)(H,25,26)InChIKey
MMDQSYAXRCIIGA-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(ethoxycarbonyl)456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC22H27NO5Sc122822(27)181475346815(14)2920(18)2319(24)161291013(1112)17(16)21(25)26h91012131617H2811H21H3(H2324)(H2526)
MFCD03388195
ZINC000100858950
ZINC000239159622
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