Vitas-M small molecule compound
methyl 4-[(12aS)-2-(3-methoxypropyl)-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
STL457939
SMILES COCCCN1CC(=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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-33-13-5-12-28-15-22(30)29-21(25(28)31)14-19-18-6-3-4-7-20(18)27-23(19)24(29)16-8-10-17(11-9-16)26(32)34-2/h3-4,6-11,21,24,27H,5,12-15H2,1-2H3/t21-,24?/m0/s1InChIKey
OOSCHDGFKKEWPV-XEGCMXMBSA-NSynonyms
956915-40-54((12aS)14diketo2(3methoxypropyl)671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956915405
COCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
COCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)C(=O)OC)NC5=CC=CC=C35
InChI=1SC26H27N3O5c13313512281522(30)2921(25(28)31)141918634720(18)2723(19)24(29)1681017(11916)26(32)342h34611212427H51215H212H3t2124?m0s1
methyl4((12aS)2(3methoxypropyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661347
ZINC000002094664
ZINC000002094665
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