Vitas-M small molecule compound
6-[2-(1,3-benzodioxol-5-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK993340
SMILES COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCO2
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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 C26H22N2O7 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7/c1-31-21-10-8-16(23(26(29)30)24(21)32-2)25-28-18(15-5-3-4-6-19(15)35-25)12-17(27-28)14-7-9-20-22(11-14)34-13-33-20/h3-11,18,25H,12-13H2,1-2H3,(H,29,30)InChIKey
XRPQLPMHAJMQSR-UHFFFAOYSA-NSynonyms
672284-27-46(2(13benzodioxol5yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(2(13BENZODIOXOL5YL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
6(2(benzo(d)(13)dioxol5yl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
672284274
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6O2)C(=O)O)OC
InChI=1SC26H22N2O7c1312110816(23(26(29)30)24(21)322)252818(15534619(15)3525)1217(2728)14792022(1114)34133320h3111825H1213H212H3(H2930)
MFCD03267381
ZINC000009033273
ZINC000012661195
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