Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK449358
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)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 C22H29NO6S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO6S/c1-2-28-22(27)16-12-8-6-4-3-5-7-9-15(12)30-20(16)23-19(24)17-13-10-11-14(29-13)18(17)21(25)26/h13-14,17-18H,2-11H2,1H3,(H,23,24)(H,25,26)InChIKey
UMAMRECRQJXFCC-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl5678910hexahydro4Hcyclonona(b)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3(ethoxycarbonyl)5678910hexahydro4Hcyclonona(b)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC22H29NO6Sc122822(27)1612864357915(12)3020(16)2319(24)1713101114(2913)18(17)21(25)26h13141718H211H21H3(H2324)(H2526)
MFCD03075313
ZINC000225591552
ZINC000239415434
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