Vitas-M small molecule compound
(1R,2S)-2-[(2-{4-[(2,4-dichlorophenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonyl]cyclohexanecarboxylic acid
Catalog ID
STK030387
SMILES O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)CCC(=O)Nc1ccc(cc1Cl)Cl
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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 C18H21Cl2N3O5 MW 430.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21Cl2N3O5/c19-10-5-6-14(13(20)9-10)21-15(24)7-8-16(25)22-23-17(26)11-3-1-2-4-12(11)18(27)28/h5-6,9,11-12H,1-4,7-8H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t11-,12+/m0/s1InChIKey
AELDTLRCHIVTJW-NWDGAFQWSA-NSynonyms
(1R2S)2(((4(24DICHLOROANILINO)4OXOBUTANOYL)AMINO)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
(1R2S)2((2(4((24DICHLOROPHENYL)AMINO)4OXOBUTANOYL)HYDRAZINYL)CARBONYL)CYCLOHEXANECARBOXYLICACID
C1CCC(C(C1)C(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI=1SC18H21Cl2N3O5c19105614(13(20)910)2115(24)7816(25)222317(26)11312412(11)18(27)28h5691112H1478H2(H2124)(H2225)(H2326)(H2728)t1112+m0s1
MFCD11844753
O=C(NNC(=O)(C@H)1CCCC(C@H)1C(=O)O)CCC(=O)Nc1ccc(cc1Cl)Cl
STK030387
ZINC000002135281
ZINC2135281
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