Vitas-M small molecule compound
N-(2-methoxy-4-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Catalog ID
STK455600
SMILES COc1cc(ccc1NC(=S)N1CCC2(CC1)OCCO2)[N+](=O)[O-]
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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 C15H19N3O5S MW 353.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O5S/c1-21-13-10-11(18(19)20)2-3-12(13)16-14(24)17-6-4-15(5-7-17)22-8-9-23-15/h2-3,10H,4-9H2,1H3,(H,16,24)InChIKey
YKNLSJDPWSJOSH-UHFFFAOYSA-NSynonyms
(14DIOXA8AZASPIRO(45)DEC8YL)((2METHOXY4NITROPHENYL)AMINO)METHANE1THIONE
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)N2CCC3(CC2)OCCO3
COc1cc(ccc1NC(=S)N1CCC2(CC1)OCCO2)(N+)(=O)(O)
InChI=1SC15H19N3O5Sc121131011(18(19)20)2312(13)1614(24)176415(5717)22892315h2310H49H21H3(H1624)
MFCD04129143
N(2methoxy4nitrophenyl)14dioxa8azaspiro(45)decane8carbothioamide
ZINC000005041765
ZINC05041765
ZINC5041765
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