Vitas-M small molecule compound
(1R,2S)-2-[(2-{4-[(2,5-dimethylphenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonyl]cyclohexanecarboxylic acid
Catalog ID
STK048405
SMILES O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)CCC(=O)Nc1cc(C)ccc1C
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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 C20H27N3O5 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O5/c1-12-7-8-13(2)16(11-12)21-17(24)9-10-18(25)22-23-19(26)14-5-3-4-6-15(14)20(27)28/h7-8,11,14-15H,3-6,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t14-,15+/m0/s1InChIKey
HENVWAHFEUXQLI-LSDHHAIUSA-NSynonyms
(1R2S)2(((4(25dimethylanilino)4oxobutanoyl)amino)carbamoyl)cyclohexane1carboxylicacid
(1R2S)2((2(4((25DIMETHYLPHENYL)AMINO)4OXOBUTANOYL)HYDRAZINYL)CARBONYL)CYCLOHEXANECARBOXYLICACID
CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C2CCCCC2C(=O)O
InChI=1SC20H27N3O5c1127813(2)16(1112)2117(24)91018(25)222319(26)14534615(14)20(27)28h78111415H36910H212H3(H2124)(H2225)(H2326)(H2728)t1415+m0s1
MFCD13368338
O=C(NNC(=O)(C@H)1CCCC(C@H)1C(=O)O)CCC(=O)Nc1cc(C)ccc1C
STK048405
ZINC000006272118
ZINC6272118
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