Vitas-M small molecule compound

4-hydroxy-4-methyl-3-[2-(2-methyl-5-nitro-1H-indol-3-yl)ethyl]-1-oxa-3-azaspiro[4.5]decan-2-one

Catalog ID
STK772814
SMILES O=C1OC2(C(N1CCc1c(C)[nH]c3c1cc(cc3)[N+](=O)[O-])(C)O)CCCCC2

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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 C20H25N3O5 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5/c1-13-15(16-12-14(23(26)27)6-7-17(16)21-13)8-11-22-18(24)28-20(19(22,2)25)9-4-3-5-10-20/h6-7,12,21,25H,3-5,8-11H2,1-2H3
InChIKey
NWRKVXKRAWHPJP-UHFFFAOYSA-N
Synonyms

(4S)4HYDROXY4METHYL3(2(2METHYL5NITRO1HINDOL3YL)ETHYL)1OXA3AZASPIRO(45)DECAN2ONE
1HYDROXY1METHYL2(2(2METHYL5NITRO1HINDOL3YL)ETHYL)4OXA2AZASPIRO(45)DECAN3ONE
4hydroxy4methyl3(2(2methyl5nitro1Hindol3yl)ethyl)1oxa3azaspiro(45)decan2one
CC1=C(C2=C(N1)C=CC(=C2)(N+)(=O)(O))CCN3C(=O)OC4(C3(C)O)CCCCC4
InChI=1SC20H25N3O5c11315(161214(23(26)27)6717(16)2113)8112218(24)2820(19(222)25)94351020h67122125H35811H212H3
MFCD03820813
O=C1OC2(C(N1CCc1c(C)(nH)c3c1cc(cc3)(N+)(=O)(O))(C)O)CCCCC2
ZINC000001078405
ZINC000001078406

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Available files

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