Vitas-M small molecule compound

2-nitrobenzyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

Catalog ID
STK371969
SMILES CCC(C(F)(F)F)(C(F)(F)F)NC(=O)OCc1ccccc1[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 C13H12F6N2O4 MW 374.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F6N2O4/c1-2-11(12(14,15)16,13(17,18)19)20-10(22)25-7-8-5-3-4-6-9(8)21(23)24/h3-6H,2,7H2,1H3,(H,20,22)
InChIKey
KCPKGPQEQGLWPI-UHFFFAOYSA-N
Synonyms

(2NITROPHENYL)METHYLN(111TRIFLUORO2(TRIFLUOROMETHYL)BUTAN2YL)CARBAMATE
2nitrobenzyl(111trifluoro2(trifluoromethyl)butan2yl)carbamate
2NITROBENZYL11BIS(TRIFLUOROMETHYL)PROPYLCARBAMATE
CARBAMINICACIDN(11BISTRIFLUOROMETHYLPROPYL)2NITROBENZYLESTER
CCC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1(N+)(=O)(O)
CCC(C(F)(F)F)(C(F)(F)F)NC(=O)OCc1ccccc1(N+)(=O)(O)
InChI=1SC13H12F6N2O4c1211(12(1415)1613(1718)19)2010(22)257853469(8)21(23)24h36H27H21H3(H2022)
MFCD00756607
N(11BIS(TRIFLUOROMETHYL)PROPYL)((2NITROPHENYL)METHOXY)CARBOXAMIDE
ZINC000001445575
ZINC01445575
ZINC1445575

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Available files

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