Vitas-M small molecule compound
(2E)-3-(3,5-dichloro-2-methoxyphenyl)-1-{4-[3-(morpholin-4-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STK355518
SMILES COc1c(/C=C/C(=O)N2CCN(CC2)c2ccc(c(c2)N2CCOCC2)[N+](=O)[O-])cc(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 C24H26Cl2N4O5 MW 521.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26Cl2N4O5/c1-34-24-17(14-18(25)15-20(24)26)2-5-23(31)29-8-6-27(7-9-29)19-3-4-21(30(32)33)22(16-19)28-10-12-35-13-11-28/h2-5,14-16H,6-13H2,1H3/b5-2+InChIKey
GUPJEUJCMUNBOX-GORDUTHDSA-NSynonyms
(2E)3(35dichloro2methoxyphenyl)1(4(3(morpholin4yl)4nitrophenyl)piperazin1yl)prop2en1one
(2E)3(35DICHLORO2METHOXYPHENYL)1(4(3MORPHOLIN4YL4NITROPHENYL)PIPERAZINYL)PROP2EN1ONE
(E)3(35DICHLORO2METHOXYPHENYL)1(4(3MORPHOLIN4YL4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
COC1=C(C=C(C=C1C=CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCOCC4)Cl)Cl
COc1c(C=CC(=O)N2CCN(CC2)c2ccc(c(c2)N2CCOCC2)(N+)(=O)(O))cc(cc1Cl)Cl
InChI=1SC24H26Cl2N4O5c1342417(1418(25)1520(24)26)2523(31)298627(7929)193421(30(32)33)22(1619)28101235131128h251416H613H21H3b52+
MFCD07149026
ZINC000004125279
ZINC04125279
ZINC4125279
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