Vitas-M small molecule compound

(2Z)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)prop-2-en-1-one

Catalog ID
STK964485
SMILES Cn1ncc(c1)/C=C(/C(=O)N1CCc2c(C1)cccc2)\n1ncc(c1)[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 C19H18N6O3 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N6O3/c1-22-11-14(9-20-22)8-18(24-13-17(10-21-24)25(27)28)19(26)23-7-6-15-4-2-3-5-16(15)12-23/h2-5,8-11,13H,6-7,12H2,1H3/b18-8-
InChIKey
MPRNBLTXKVEMJQ-LSCVHKIXSA-N
Synonyms
1005634-20-7
(2Z)1(34dihydroisoquinolin2(1H)yl)3(1methyl1Hpyrazol4yl)2(4nitro1Hpyrazol1yl)prop2en1one
(Z)1(34DIHYDRO1HISOQUINOLIN2YL)3(1METHYLPYRAZOL4YL)2(4NITROPYRAZOL1YL)PROP2EN1ONE
1005634207
CN1C=C(C=N1)C=C(C(=O)N2CCC3=CC=CC=C3C2)N4C=C(C=N4)(N+)(=O)(O)
Cn1ncc(c1)C=C(C(=O)N1CCc2c(C1)cccc2)n1ncc(c1)(N+)(=O)(O)
InChI=1SC19H18N6O3c1221114(92022)818(241317(102124)25(27)28)19(26)237615423516(15)1223h2581113H6712H21H3b188
MFCD04050130
ZINC000006828116
ZINC06828116
ZINC6828116

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Available files

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