Vitas-M small molecule compound

methyl 4-[(12aS)-2-heptyl-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
STL537810
SMILES CCCCCCCN1CC(=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 C29H33N3O4 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4/c1-3-4-5-6-9-16-31-18-25(33)32-24(28(31)34)17-22-21-10-7-8-11-23(21)30-26(22)27(32)19-12-14-20(15-13-19)29(35)36-2/h7-8,10-15,24,27,30H,3-6,9,16-18H2,1-2H3/t24-,27?/m0/s1
InChIKey
MOPDRAFJQJNZIY-BXXZMZEQSA-N
Synonyms
956975-01-2
16401513
956975012
CCCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
InChI=1SC29H33N3O4c13456916311825(33)3224(28(31)34)17222110781123(21)3026(22)27(32)19121420(151319)29(35)362h781015242730H3691618H212H3t2427?m0s1
methyl4((12aS)2heptyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6heptyl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05675069
ZINC000002158910
ZINC000002158914

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Available files

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