Vitas-M small molecule compound
1-benzyl-3-methyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one
Catalog ID
STK333966
SMILES O=C1CCCC2=C1C(c1cccc(c1)[N+](=O)[O-])c1c(O2)n(nc1C)Cc1ccccc1
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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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-15-21-22(17-9-5-10-18(13-17)27(29)30)23-19(28)11-6-12-20(23)31-24(21)26(25-15)14-16-7-3-2-4-8-16/h2-5,7-10,13,22H,6,11-12,14H2,1H3InChIKey
GSCSHJDQQYQQTD-UHFFFAOYSA-NSynonyms
1benzyl3methyl4(3nitrophenyl)4678tetrahydrochromeno(23c)pyrazol5(1H)one
1benzyl3methyl4(3nitrophenyl)4678tetrahydrochromeno(23c)pyrazol5one
CC1=NN(C2=C1C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)(N+)(=O)(O))CC5=CC=CC=C5
InChI=1SC24H21N3O4c1152122(17951018(1317)27(29)30)2319(28)1161220(23)3124(21)26(2515)14167324816h257101322H6111214H21H3
MFCD09963334
O=C1CCCC2=C1C(c1cccc(c1)(N+)(=O)(O))c1c(O2)n(nc1C)Cc1ccccc1
ZINC000018196546
ZINC000018196547
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