Vitas-M small molecule compound
3,4-dimethyl-6-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426235
SMILES CC(OC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCCC2)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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-11(2)28-22(27)18-14-7-5-6-8-17(14)29-20(18)23-19(24)15-9-12(3)13(4)10-16(15)21(25)26/h11,15-16H,5-10H2,1-4H3,(H,23,24)(H,25,26)InChIKey
BTGQOEKVRMUXOF-UHFFFAOYSA-NSynonyms
34dimethyl6((3((propan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
34dimethyl6((3propan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C(=O)O)C
InChI=1SC22H29NO5Sc111(2)2822(27)1814756817(14)2920(18)2319(24)15912(3)13(4)1016(15)21(25)26h111516H510H214H3(H2324)(H2526)
MFCD02609053
ZINC000003864113
ZINC000004651481
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