Vitas-M small molecule compound
methyl 4-[(Z)-{3,7-dioxo-9-[1-(propan-2-yl)-1H-pyrazol-5-yl]-8,9-dihydro-7H-furo[2,3-f]chromen-2(3H)-ylidene}methyl]benzoate
Catalog ID
STL548752
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccnn1C(C)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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c1-14(2)28-19(10-11-27-28)18-13-22(29)33-20-9-8-17-24(30)21(34-25(17)23(18)20)12-15-4-6-16(7-5-15)26(31)32-3/h4-12,14,18H,13H2,1-3H3/b21-12-InChIKey
SOXJPDUDLJZZHC-MTJSOVHGSA-NSynonyms
(Z)methyl4((9(1isopropyl1Hpyrazol5yl)37dioxo3789tetrahydro2Hfuro(23f)chromen2ylidene)methyl)benzoate
121541946
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccnn1C(C)C
InChI=1SC26H22N2O6c114(2)2819(10112728)181322(29)3320981724(30)21(3425(17)23(18)20)12154616(7515)26(31)323h4121418H13H213H3b2112
methyl4((~(Z))(37dioxo9(2propan2ylpyrazol3yl)89dihydrofuro(23f)chromen2ylidene)methyl)benzoate
methyl4((Z)(37dioxo9(1(propan2yl)1Hpyrazol5yl)89dihydro7Hfuro(23f)chromen2(3H)ylidene)methyl)benzoate
MFCD30344462
ZINC000263586320
ZINC001081801570
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