Vitas-M small molecule compound

1-(4-nitrophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]ethanone

Catalog ID
STL056189
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1ncnc2c1cnn2c1ccccc1

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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 C19H13N5O3S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N5O3S/c25-17(13-6-8-15(9-7-13)24(26)27)11-28-19-16-10-22-23(18(16)20-12-21-19)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKey
MTQDWOKKBHWGAI-UHFFFAOYSA-N
Synonyms
714286-18-7
1(4nitrophenyl)2((1phenyl1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)ethanone
1(4nitrophenyl)2((1phenyl1Hpyrazolo(34d)pyrimidin4yl)thio)ethanone
1(4NITROPHENYL)2(1PHENYLPYRAZOLO(34D)PYRIMIDIN4YL)SULFANYLETHANONE
714286187
C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H13N5O3Sc2517(136815(9713)24(26)27)11281916102223(18(16)20122119)144213514h11012H11H2
MFCD05695500
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1ncnc2c1cnn2c1ccccc1
ZINC000005532044
ZINC05532044
ZINC5532044

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Available files

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