Vitas-M small molecule compound
[4-(4-chloro-2-nitrophenyl)piperazin-1-yl][3-nitro-4-(pyrrolidin-1-yl)phenyl]methanone
Catalog ID
STK355790
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C21H22ClN5O5 MW 459.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O5/c22-16-4-6-18(20(14-16)27(31)32)24-9-11-25(12-10-24)21(28)15-3-5-17(19(13-15)26(29)30)23-7-1-2-8-23/h3-6,13-14H,1-2,7-12H2InChIKey
KGWGQIKPAADMHU-UHFFFAOYSA-NSynonyms
(4(4chloro2nitrophenyl)piperazin1yl)(3nitro4(pyrrolidin1yl)phenyl)methanone
(4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)(3NITRO4PYRROLIDIN1YLPHENYL)METHANONE
C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O))(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
InChI=1SC21H22ClN5O5c22164618(20(1416)27(31)32)2491125(121024)21(28)153517(19(1315)26(29)30)23712823h361314H12712H2
MFCD03909998
ZINC000018042680
ZINC18042680
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