Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-1-cyclooctyl-7-hydroxy-1,2-dihydro-3H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3-one

Catalog ID
STL521183
SMILES Oc1ccc2c(c1)oc1c2nc2c(c1c1ccc3c(c1)OCO3)c(=O)[nH]n2C1CCCCCCC1

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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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c31-17-9-10-18-20(13-17)35-25-22(15-8-11-19-21(12-15)34-14-33-19)23-26(28-24(18)25)30(29-27(23)32)16-6-4-2-1-3-5-7-16/h8-13,16,31H,1-7,14H2,(H,29,32)
InChIKey
NHKSTHZOHULNKU-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5yl)1cyclooctyl7hydroxy12dihydro3H(1)benzofuro(32b)pyrazolo(43e)pyridin3one
4(benzo(d)(13)dioxol5yl)1cyclooctyl7hydroxy1Hbenzofuro(32b)pyrazolo(43e)pyridin3(2H)one
InChI=1SC27H25N3O5c31179101820(1317)352522(158111921(1215)34143319)2326(2824(18)25)30(2927(23)32)16642135716h8131631H1714H2(H2932)
MFCD22574721
Oc1ccc2c(c1)oc1c2nc2c(c1c1ccc3c(c1)OCO3)c(=O)(nH)n2C1CCCCCCC1
ZINC000079193700

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Available files

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