Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](5-chloro-2-nitrophenyl)methanone
Catalog ID
STK433938
SMILES Clc1ccc(c(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)[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 C19H18ClN3O5 MW 403.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5/c20-14-2-3-16(23(25)26)15(10-14)19(24)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10H,5-8,11-12H2InChIKey
MJYUTVHWUPRPAH-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(5chloro2nitrophenyl)methanone
1(13BENZODIOXOL5YLMETHYL)4(5CHLORO2NITROBENZOYL)PIPERAZINE
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL5CHLORO2NITROPHENYLKETONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC19H18ClN3O5c20142316(23(25)26)15(1014)19(24)227521(6822)1113141718(913)28122717h14910H581112H2
MFCD03395174
ZINC000019850983
ZINC19850983
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