Vitas-M small molecule compound
methyl 4-[(12aS)-2-hexyl-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
STL457891
SMILES CCCCCCN1CC(=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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-3-4-5-8-15-30-17-24(32)31-23(27(30)33)16-21-20-9-6-7-10-22(20)29-25(21)26(31)18-11-13-19(14-12-18)28(34)35-2/h6-7,9-14,23,26,29H,3-5,8,15-17H2,1-2H3/t23-,26?/m0/s1InChIKey
KSEZDMIBYPOAGV-ZZHFZYNASA-NSynonyms
956993-69-44((12aS)2hexyl14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956993694
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2
CCCCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)C(=O)OC)NC5=CC=CC=C35
InChI=1SC28H31N3O4c1345815301724(32)3123(27(30)33)1621209671022(20)2925(21)26(31)18111319(141218)28(34)352h67914232629H3581517H212H3t2326?m0s1
methyl4((12aS)2hexyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661557
ZINC000002147213
ZINC000011692244
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