Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one

Catalog ID
STK784503
SMILES O=C1Oc2[nH]nc(c2C(C1)c1ccc2c(c1)OCO2)c1cccc(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 C19H13N3O6 MW 379.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O6/c23-16-8-13(10-4-5-14-15(7-10)27-9-26-14)17-18(20-21-19(17)28-16)11-2-1-3-12(6-11)22(24)25/h1-7,13H,8-9H2,(H,20,21)
InChIKey
FVBNDBKJJGHDGU-UHFFFAOYSA-N
Synonyms

4(13BENZODIOXOL5YL)3(3NITROPHENYL)45DIHYDRO2HPYRANO(23C)PYRAZOL6ONE
4(13benzodioxol5yl)3(3nitrophenyl)45dihydropyrano(23c)pyrazol6(1H)one
C1C(C2=C(NN=C2OC1=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC5=C(C=C4)OCO5
InChI=1SC19H13N3O6c2316813(10451415(710)2792614)1718(202119(17)2816)1121312(611)22(24)25h1713H89H2(H2021)
MFCD07022449
O=C1Oc2(nH)nc(c2C(C1)c1ccc2c(c1)OCO2)c1cccc(c1)(N+)(=O)(O)
ZINC000004626526
ZINC000004626527

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Available files

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