Vitas-M small molecule compound
2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Catalog ID
STL048911
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1ncnc2c1cnn2Cc1ccccc1
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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 C20H15N5O3S MW 405.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O3S/c26-18(15-6-8-16(9-7-15)25(27)28)12-29-20-17-10-23-24(19(17)21-13-22-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2InChIKey
VQCIIVYFQBFWLJ-UHFFFAOYSA-NSynonyms
714232-73-22((1benzyl1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
2((1benzyl1Hpyrazolo(34d)pyrimidin4yl)thio)1(4nitrophenyl)ethanone
2(1BENZYLPYRAZOLO(34D)PYRIMIDIN4YL)SULFANYL1(4NITROPHENYL)ETHANONE
714232732
C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H15N5O3Sc2618(156816(9715)25(27)28)12292017102324(19(17)21132220)11144213514h11013H1112H2
MFCD05700723
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1ncnc2c1cnn2Cc1ccccc1
ZINC000005561726
ZINC05561726
ZINC5561726
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