Vitas-M small molecule compound
6-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK472140
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1CC(=C(CC1C(=O)O)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 C22H30N2O4S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4S/c1-4-5-13-6-7-14-17(10-13)29-21(18(14)19(23)25)24-20(26)15-8-11(2)12(3)9-16(15)22(27)28/h13,15-16H,4-10H2,1-3H3,(H2,23,25)(H,24,26)(H,27,28)InChIKey
NBIXLGMEHJODLK-UHFFFAOYSA-NSynonyms
6((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC22H30N2O4Sc14513671417(1013)2921(18(14)19(23)25)2420(26)15811(2)12(3)916(15)22(27)28h131516H410H213H3(H22325)(H2426)(H2728)
MFCD06061079
ZINC000017091518
ZINC000239164869
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