Vitas-M small molecule compound
1,3-benzodioxol-5-yl{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK346358
SMILES O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C19H16F3N3O5 MW 423.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F3N3O5/c20-19(21,22)13-2-3-14(15(10-13)25(27)28)23-5-7-24(8-6-23)18(26)12-1-4-16-17(9-12)30-11-29-16/h1-4,9-10H,5-8,11H2InChIKey
YRMMFFKDYCVCQI-UHFFFAOYSA-NSynonyms
13BENZODIOXOL5YL(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC19H16F3N3O5c2019(2122)132314(15(1013)25(27)28)235724(8623)18(26)12141617(912)30112916h14910H5811H2
MFCD04585635
O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000010003614
ZINC10003614
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