Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK449359
SMILES CCOC(=O)c1c(NC(=O)C2C(C(=O)O)C3C(=C(C)C)C2CC3)sc2c1CCCCCCC2
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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 C26H35NO5S MW 473.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5S/c1-4-32-26(31)22-15-10-8-6-5-7-9-11-18(15)33-24(22)27-23(28)20-16-12-13-17(19(16)14(2)3)21(20)25(29)30/h16-17,20-21H,4-13H2,1-3H3,(H,27,28)(H,29,30)InChIKey
LJIWTCOZEBXBSZ-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl5678910hexahydro4Hcyclonona(b)thiophen2yl)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((3(ethoxycarbonyl)5678910hexahydro4Hcyclonona(b)thiophen2yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C3C4CCC(C3C(=O)O)C4=C(C)C
InChI=1SC26H35NO5Sc143226(31)221510865791118(15)3324(22)2723(28)2016121317(19(16)14(2)3)21(20)25(29)30h16172021H413H213H3(H2728)(H2930)
MFCD03075366
ZINC000102651062
ZINC000102651069
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