Vitas-M small molecule compound
(2-chloro-4,5-difluorophenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK098830
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)C(=O)c2cc(F)c(cc2Cl)F)ccc1OC
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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 C27H27ClF2N4O5 MW 560.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClF2N4O5/c1-38-25-6-3-17(13-26(25)39-2)7-8-31-23-14-18(4-5-24(23)34(36)37)32-9-11-33(12-10-32)27(35)19-15-21(29)22(30)16-20(19)28/h3-6,13-16,31H,7-12H2,1-2H3InChIKey
MBLYXJXVHAOVLR-UHFFFAOYSA-NSynonyms
(2CHLORO45DIFLUOROPHENYL)(4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(2chloro45difluorophenyl)(4(3((34dimethoxyphenethyl)amino)4nitrophenyl)piperazin1yl)methanone
(2CHLORO45DIFLUOROPHENYL)(4(3(2(34DIMETHOXYPHENYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)METHANONE
4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)PIPERAZINYL2CHLORO45DIFLUOROPHENYLKETONE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4Cl)F)F)(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)C(=O)c2cc(F)c(cc2Cl)F)ccc1OC
InChI=1SC27H27ClF2N4O5c138256317(1326(25)392)7831231418(4524(23)34(36)37)3291133(121032)27(35)191521(29)22(30)1620(19)28h36131631H712H212H3
MFCD02625918
STK098830
ZINC000033354487
ZINC33354487
Check stock
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Check stock on Vitas-MAvailable files
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