Vitas-M small molecule compound
3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL568362
SMILES COc1cc(CCN2C(=O)C(C(=O)N)C3CC2(C)Oc2c3cccc2)c(cc1OC)[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 C23H25N3O7 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O7/c1-23-12-15(14-6-4-5-7-17(14)33-23)20(21(24)27)22(28)25(23)9-8-13-10-18(31-2)19(32-3)11-16(13)26(29)30/h4-7,10-11,15,20H,8-9,12H2,1-3H3,(H2,24,27)InChIKey
PHTLVFVNEIHXLK-UHFFFAOYSA-NSynonyms
10(2(45dimethoxy2nitrophenyl)ethyl)9methyl11oxo8oxa10azatricyclo(731027)trideca246triene12carboxamide
128962971
3(2(45dimethoxy2nitrophenyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
3(45dimethoxy2nitrophenethyl)2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
COc1cc(CCN2C(=O)C(C(=O)N)C3CC2(C)Oc2c3cccc2)c(cc1OC)(N+)(=O)(O)
InChI=1SC23H25N3O7c1231215(14645717(14)3323)20(21(24)27)22(28)25(23)98131018(312)19(323)1116(13)26(29)30h4710111520H8912H213H3(H22427)
MFCD32653466
ZINC000524733789
ZINC000524733790
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