Vitas-M small molecule compound
2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK400383
SMILES COC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)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 C20H27NO5S MW 393.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)InChIKey
FLTXXOCJBMXERF-UHFFFAOYSA-NSynonyms
362481-96-72((3(methoxycarbonyl)456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((3methoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)cyclohexane1carboxylicacid
362481967
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3CCCCC3C(=O)O
InChI=1SC20H27NO5Sc12620(25)16141042351115(14)2718(16)2117(22)12867913(12)19(23)24h1213H211H21H3(H2122)(H2324)
MFCD01343820
ZINC000002737405
ZINC000005020832
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