Vitas-M small molecule compound

1'-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-5-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

Catalog ID
STK687594
SMILES O=C1N(CN2CCC3(CC2)OCCO3)c2c(C31OCC(CO3)(C)[N+](=O)[O-])cccc2

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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 C20H25N3O7 MW 419.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O7/c1-18(23(25)26)12-29-20(30-13-18)15-4-2-3-5-16(15)22(17(20)24)14-21-8-6-19(7-9-21)27-10-11-28-19/h2-5H,6-14H2,1H3
InChIKey
ICOLIIRSCQANIX-UHFFFAOYSA-N
Synonyms

1(14dioxa8azaspiro(45)dec8ylmethyl)5methyl5nitrospiro(13dioxane23indol)2(1H)one
1(14DIOXA8AZASPIRO(45)DECAN8YLMETHYL)5METHYL5NITROSPIRO(13DIOXANE23INDOLE)2ONE
CC1(COC2(C3=CC=CC=C3N(C2=O)CN4CCC5(CC4)OCCO5)OC1)(N+)(=O)(O)
InChI=1SC20H25N3O7c118(23(25)26)122920(301318)15423516(15)22(17(20)24)14218619(7921)2710112819h25H614H21H3
MFCD06619240
O=C1N(CN2CCC3(CC2)OCCO3)c2c(C31OCC(CO3)(C)(N+)(=O)(O))cccc2
ZINC000019932671
ZINC19932671

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Available files

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