Vitas-M small molecule compound
6-methyl-4-[3-(3-nitrophenyl)-1H-pyrazol-4-yl]-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
Catalog ID
STK779388
SMILES O=C1CC(c2c[nH]nc2c2cccc(c2)[N+](=O)[O-])c2c(O1)c1ccccc1n(c2=O)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 C22H16N4O5 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5/c1-25-17-8-3-2-7-14(17)21-19(22(25)28)15(10-18(27)31-21)16-11-23-24-20(16)12-5-4-6-13(9-12)26(29)30/h2-9,11,15H,10H2,1H3,(H,23,24)InChIKey
XLUIBBDMTUPYHP-UHFFFAOYSA-NSynonyms
6methyl4(3(3nitrophenyl)1Hpyrazol4yl)46dihydro2Hpyrano(32c)quinoline25(3H)dione
6METHYL4(5(3NITROPHENYL)1HPYRAZOL4YL)34DIHYDROPYRANO(32C)QUINOLINE25DIONE
CN1C2=CC=CC=C2C3=C(C1=O)C(CC(=O)O3)C4=C(NN=C4)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC22H16N4O5c12517832714(17)2119(22(25)28)15(1018(27)3121)1611232420(16)1254613(912)26(29)30h291115H10H21H3(H2324)
MFCD05858501
O=C1CC(c2c(nH)nc2c2cccc(c2)(N+)(=O)(O))c2c(O1)c1ccccc1n(c2=O)C
ZINC000001429552
ZINC000001429554
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