Vitas-M small molecule compound
6-{[3-(methoxycarbonyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK467145
SMILES COC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCC(C2)C(CC)(C)C
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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 C25H35NO5S MW 461.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO5S/c1-7-25(4,5)15-8-9-16-19(12-15)32-22(20(16)24(30)31-6)26-21(27)17-10-13(2)14(3)11-18(17)23(28)29/h15,17-18H,7-12H2,1-6H3,(H,26,27)(H,28,29)InChIKey
PMEJTYIMDWFGBO-UHFFFAOYSA-NSynonyms
6((3(methoxycarbonyl)6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3methoxycarbonyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC25H35NO5Sc1725(45)15891619(1215)3222(20(16)24(30)316)2621(27)171013(2)14(3)1118(17)23(28)29h151718H712H216H3(H2627)(H2829)
MFCD06060256
ZINC000020573129
ZINC000239174193
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