Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
Catalog ID
STK355532
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])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 C20H19ClN4O6 MW 446.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O6/c1-31-15-4-6-17(19(13-15)25(29)30)22-8-10-23(11-9-22)20(26)7-3-14-2-5-16(21)18(12-14)24(27)28/h2-7,12-13H,8-11H2,1H3/b7-3+InChIKey
CZUCNIIVPPUJID-XVNBXDOJSA-NSynonyms
(2E)3(4chloro3nitrophenyl)1(4(4methoxy2nitrophenyl)piperazin1yl)prop2en1one
(2E)3(4CHLORO3NITROPHENYL)1(4(4METHOXY2NITROPHENYL)PIPERAZINYL)PROP2EN1ONE
(E)3(4CHLORO3NITROPHENYL)1(4(4METHOXY2NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC20H19ClN4O6c131154617(19(1315)25(29)30)2281023(11922)20(26)73142516(21)18(1214)24(27)28h271213H811H21H3b73+
MFCD07174640
ZINC000004125228
ZINC04125228
ZINC4125228
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