Vitas-M small molecule compound

2-(2,4-dichlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine

Catalog ID
STK193231
SMILES Clc1ccc(c(c1)Cl)CCNCc1cc2OCOc2cc1[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 C16H14Cl2N2O4 MW 369.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14Cl2N2O4/c17-12-2-1-10(13(18)6-12)3-4-19-8-11-5-15-16(24-9-23-15)7-14(11)20(21)22/h1-2,5-7,19H,3-4,8-9H2
InChIKey
XCUSOQJFTCJZLA-UHFFFAOYSA-N
Synonyms

(2(24DICHLOROPHENYL)ETHYL)(6NITROBENZO(13)DIOXOL5YLMETHYL)AMINE
2(24DICHLOROPHENYL)N((6NITRO13BENZODIOXOL5YL)METHYL)ETHANAMINE
C1OC2=C(O1)C=C(C(=C2)CNCCC3=C(C=C(C=C3)Cl)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)CCNCc1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC16H14Cl2N2O4c17122110(13(18)612)341981151516(2492315)714(11)20(21)22h125719H3489H2
MFCD01135943
ZINC000019642803
ZINC19642803

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Available files

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