Vitas-M small molecule compound
(1R,2S)-2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid
Catalog ID
STK022286
SMILES O=C([C@H]1CCCC[C@H]1C(=O)O)Nc1sc(c(c1C(=O)N)C)Cc1ccccc1
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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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-12-16(11-13-7-3-2-4-8-13)28-20(17(12)18(22)24)23-19(25)14-9-5-6-10-15(14)21(26)27/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/t14-,15+/m0/s1InChIKey
BANHQLBNKVOICA-LSDHHAIUSA-NSynonyms
(1R2S)2((5BENZYL3CARBAMOYL4METHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
(1R2S)2((5BENZYL3CARBAMOYL4METHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCCC2C(=O)O)CC3=CC=CC=C3
InChI=1SC21H24N2O4Sc11216(11137324813)2820(17(12)18(22)24)2319(25)149561015(14)21(26)27h24781415H56911H21H3(H22224)(H2325)(H2627)t1415+m0s1
MFCD13368295
O=C((C@H)1CCCC(C@H)1C(=O)O)Nc1sc(c(c1C(=O)N)C)Cc1ccccc1
STK022286
ZINC000000794211
ZINC794211
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