Vitas-M small molecule compound
methyl 4-[(12aR)-1,4-dioxo-2-pentyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Catalog ID
STL527986
SMILES CCCCCN1CC(=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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-3-4-7-14-29-16-23(31)30-22(26(29)32)15-20-19-8-5-6-9-21(19)28-24(20)25(30)17-10-12-18(13-11-17)27(33)34-2/h5-6,8-13,22,25,28H,3-4,7,14-16H2,1-2H3/t22-,25?/m1/s1InChIKey
IQOHSKXEHOWFCV-UFUCKMQHSA-NSynonyms
135639351
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
InChI=1SC27H29N3O4c134714291623(31)3022(26(29)32)152019856921(19)2824(20)25(30)17101218(131117)27(33)342h56813222528H3471416H212H3t2225?m1s1
methyl4((12aR)14dioxo2pentyl1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)14dioxo2pentyl1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(R))47dioxo6pentyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD03661320
ZINC000016042680
ZINC000016042681
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