Vitas-M small molecule compound
4-chloro-6-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STL326372
SMILES CCOC(=O)c1c(NC(=O)C2CC(=CCC2C(=O)O)Cl)sc2c1CCCC2
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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 C19H22ClNO5S MW 411.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClNO5S/c1-2-26-19(25)15-12-5-3-4-6-14(12)27-17(15)21-16(22)13-9-10(20)7-8-11(13)18(23)24/h7,11,13H,2-6,8-9H2,1H3,(H,21,22)(H,23,24)InChIKey
PYWGQTDTTLPVSD-UHFFFAOYSA-NSynonyms
372152-98-2372152982
4chloro6((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
4chloro6((3(ethoxycarbonyl)4567tetrahydrobenzo(b)thiophen2yl)carbamoyl)cyclohex3enecarboxylicacid
4chloro6((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=CCC3C(=O)O)Cl
InChI=1SC19H22ClNO5Sc122619(25)1512534614(12)2717(15)2116(22)13910(20)7811(13)18(23)24h71113H2689H21H3(H2122)(H2324)
MFCD01878179
ZINC000001175222
ZINC000001175225
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