Vitas-M small molecule compound

2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-dinitro-1H-indole

Catalog ID
STK958526
SMILES Cc1nn(c(c1c1cc2c([nH]1)cc(cc2[N+](=O)[O-])[N+](=O)[O-])Cl)c1ccccc1

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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 C18H12ClN5O4 MW 397.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN5O4/c1-10-17(18(19)22(21-10)11-5-3-2-4-6-11)15-9-13-14(20-15)7-12(23(25)26)8-16(13)24(27)28/h2-9,20H,1H3
InChIKey
CEDQJKGRVDPUTP-UHFFFAOYSA-N
Synonyms
494745-89-0
2(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)46BISNITRO1HINDOLE
2(5chloro3methyl1phenyl1Hpyrazol4yl)46dinitro1Hindole
2(5CHLORO3METHYL1PHENYLPYRAZOL4YL)46DINITRO1HINDOLE
4(46DINITROINDOL2YL)5CHLORO3METHYL1PHENYLPYRAZOLE
494745890
CC1=NN(C(=C1C2=CC3=C(C=C(C=C3N2)(N+)(=O)(O))(N+)(=O)(O))Cl)C4=CC=CC=C4
Cc1nn(c(c1c1cc2c((nH)1)cc(cc2(N+)(=O)(O))(N+)(=O)(O))Cl)c1ccccc1
InChI=1SC18H12ClN5O4c11017(18(19)22(2110)115324611)1591314(2015)712(23(25)26)816(13)24(27)28h2920H1H3
MFCD01921852
ZINC000002750015
ZINC02750015
ZINC2750015

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Available files

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