Vitas-M small molecule compound

4-nitro-1-(propan-2-yl)-3-(3,3,3-trifluoropropoxy)-1H-pyrazole

Catalog ID
STL415318
SMILES CC(n1nc(c(c1)[N+](=O)[O-])OCCC(F)(F)F)C

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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 C9H12F3N3O3 MW 267.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12F3N3O3/c1-6(2)14-5-7(15(16)17)8(13-14)18-4-3-9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKey
UCWZUWZQSOPDRE-UHFFFAOYSA-N
Synonyms
1458593-61-7
1458593617
4nitro1(propan2yl)3(333trifluoropropoxy)1Hpyrazole
CC(C)N1C=C(C(=N1)OCCC(F)(F)F)(N+)(=O)(O)
CC(n1nc(c(c1)(N+)(=O)(O))OCCC(F)(F)F)C
InChI=1SC9H12F3N3O3c16(2)1457(15(16)17)8(1314)18439(1011)12h56H34H212H3
MFCD28155605
ZINC000095836815
ZINC95836815

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Available files

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