Vitas-M small molecule compound
(12aS)-2-hexyl-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457977
SMILES CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-3-4-5-8-15-29-17-24(31)30-23(27(29)32)16-21-20-9-6-7-10-22(20)28-25(21)26(30)18-11-13-19(33-2)14-12-18/h6-7,9-14,23,26,28H,3-5,8,15-17H2,1-2H3/t23-,26?/m0/s1InChIKey
LAGBVNHLYDGDLZ-ZZHFZYNASA-NSynonyms
956976-51-5(12aS)2hexyl6(4methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2hexyl6(4methoxyphenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(S)2hexyl6(4methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
956976515
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)OC)(nH)c2c1cccc2
CCCCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)OC)NC5=CC=CC=C35
InChI=1SC27H31N3O3c1345815291724(31)3023(27(29)32)1621209671022(20)2825(21)26(30)18111319(332)141218h67914232628H3581517H212H3t2326?m0s1
MFCD03659920
ZINC000002096224
ZINC000002096226
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