Vitas-M small molecule compound
(3-chloro-4-methylphenyl){4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK206115
SMILES O=C(c1ccc(c(c1)Cl)C)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
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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 C19H16ClF3N4O5 MW 472.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClF3N4O5/c1-11-2-3-12(8-14(11)20)18(28)25-6-4-24(5-7-25)17-15(26(29)30)9-13(19(21,22)23)10-16(17)27(31)32/h2-3,8-10H,4-7H2,1H3InChIKey
RGGGYZPGQIPRRF-UHFFFAOYSA-NSynonyms
(3CHLORO4METHYLPHENYL)(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))Cl
InChI=1SC19H16ClF3N4O5c1112312(814(11)20)18(28)256424(5725)1715(26(29)30)913(19(2122)23)1016(17)27(31)32h23810H47H21H3
MFCD06666800
O=C(c1ccc(c(c1)Cl)C)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
ZINC000009971925
ZINC09971925
ZINC9971925
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