Vitas-M small molecule compound
methyl 4-[(12aS)-2-(2-methoxyethyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Catalog ID
STL537435
SMILES COCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)[nH]c2c1cccc2
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-32-12-11-27-14-21(29)28-20(24(27)30)13-18-17-5-3-4-6-19(17)26-22(18)23(28)15-7-9-16(10-8-15)25(31)33-2/h3-10,20,23,26H,11-14H2,1-2H3/t20-,23?/m0/s1InChIKey
XZZMYTZNLVZKHB-AJZOCDQUSA-NSynonyms
956776-52-616401271
956776526
COCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
InChI=1SC25H25N3O5c1321211271421(29)2820(24(27)30)131817534619(17)2622(18)23(28)157916(10815)25(31)332h310202326H1114H212H3t2023?m0s1
methyl4((12aS)2(2methoxyethyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(2methoxyethyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05673727
ZINC000002116966
ZINC000002116967
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