Vitas-M small molecule compound
3,4-dimethyl-6-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426253
SMILES CCCOC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-4-9-28-22(27)18-14-7-5-6-8-17(14)29-20(18)23-19(24)15-10-12(2)13(3)11-16(15)21(25)26/h15-16H,4-11H2,1-3H3,(H,23,24)(H,25,26)InChIKey
SBKAVKFUPLSCTI-UHFFFAOYSA-NSynonyms
34dimethyl6((3(propoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
34dimethyl6((3propoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC22H29NO5Sc1492822(27)1814756817(14)2920(18)2319(24)151012(2)13(3)1116(15)21(25)26h1516H411H213H3(H2324)(H2526)
MFCD02609453
ZINC000002801773
ZINC000002801776
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