Vitas-M small molecule compound
methyl 4-[(12aR)-1,4-dioxo-2-propyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Catalog ID
STL527929
SMILES CCCN1CC(=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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-3-12-27-14-21(29)28-20(24(27)30)13-18-17-6-4-5-7-19(17)26-22(18)23(28)15-8-10-16(11-9-15)25(31)32-2/h4-11,20,23,26H,3,12-14H2,1-2H3/t20-,23?/m1/s1InChIKey
MOMGVWRGNRRKNG-PPUHSXQSSA-NSynonyms
135639337
CCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
InChI=1SC25H25N3O4c1312271421(29)2820(24(27)30)131817645719(17)2622(18)23(28)1581016(11915)25(31)322h411202326H31214H212H3t2023?m1s1
methyl4((12aR)14dioxo2propyl1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)14dioxo2propyl1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(R))47dioxo6propyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD03661045
ZINC000016042423
ZINC000016042424
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