Vitas-M small molecule compound
(12aS)-2-hexyl-6-(2-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537711
SMILES CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2C)[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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-3-4-5-10-15-29-17-24(31)30-23(27(29)32)16-21-20-13-8-9-14-22(20)28-25(21)26(30)19-12-7-6-11-18(19)2/h6-9,11-14,23,26,28H,3-5,10,15-17H2,1-2H3/t23-,26?/m0/s1InChIKey
JQJGNHQLNMHENL-ZZHFZYNASA-NSynonyms
956816-53-8(12aS)2hexyl6(2methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2hexyl6(otolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6hexyl2(2methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401041
956816538
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2C)(nH)c2c1cccc2
InChI=1SC27H31N3O2c13451015291724(31)3023(27(29)32)16212013891422(20)2825(21)26(30)1912761118(19)2h691114232628H35101517H212H3t2326?m0s1
MFCD05672530
ZINC000002112710
ZINC000002112711
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