Vitas-M small molecule compound
methyl 4-[(12aR)-2-butyl-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
STL527404
SMILES CCCCN1CC(=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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-3-4-13-28-15-22(30)29-21(25(28)31)14-19-18-7-5-6-8-20(18)27-23(19)24(29)16-9-11-17(12-10-16)26(32)33-2/h5-12,21,24,27H,3-4,13-15H2,1-2H3/t21-,24?/m1/s1InChIKey
ZTZUSIIRSGLWIL-CILPGNKCSA-NSynonyms
135639259
CCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
InChI=1SC26H27N3O4c13413281522(30)2921(25(28)31)141918756820(18)2723(19)24(29)1691117(121016)26(32)332h512212427H341315H212H3t2124?m1s1
methyl4((12aR)2butyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)2butyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(R))6butyl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD03660404
ZINC000016031275
ZINC000016031277
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