Vitas-M small molecule compound
10'-(1-methyl-1H-pyrazol-5-yl)-9',10'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'(3'H)-dione
Catalog ID
STL545726
SMILES O=C1Oc2ccc3c(c2C(C1)c1ccnn1C)OC1(CC3=O)CCCCC1
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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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-23-15(7-10-22-23)14-11-18(25)26-17-6-5-13-16(24)12-21(8-3-2-4-9-21)27-20(13)19(14)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3InChIKey
NKINFRTUPNESRM-UHFFFAOYSA-NSynonyms
1676087-23-210(1METHYL1HPYRAZOL5YL)910DIHYDRO3HSPIRO(CYCLOHEXANE12PYRANO(23F)CHROMENE)48DIONE
10(1methyl1Hpyrazol5yl)910dihydro8Hspiro(cyclohexane12pyrano(23f)chromene)48(3H)dione
10(2methylpyrazol3yl)spiro(910dihydro3~(H)pyrano(23f)chromene21cyclohexane)48dione
102564446
1676087232
InChI=1SC21H22N2O4c12315(7102223)141118(25)2617651316(24)1221(8324921)2720(13)19(14)17h571014H24891112H21H3
MFCD28985342
ZINC000217939624
ZINC000217939697
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