Vitas-M small molecule compound
(12aS)-2-hexyl-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537231
SMILES CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)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/c1-3-4-5-8-14-29-17-24(31)30-23(27(29)32)16-21-20-12-6-7-13-22(20)28-25(21)26(30)18-10-9-11-19(15-18)33-2/h6-7,9-13,15,23,26,28H,3-5,8,14,16-17H2,1-2H3/t23-,26?/m0/s1InChIKey
FHRWWCXTHYMPGJ-ZZHFZYNASA-NSynonyms
956822-45-0(12aS)2hexyl6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2hexyl6(3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6hexyl2(3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399920
956822450
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)OC)(nH)c2c1cccc2
InChI=1SC27H31N3O3c1345814291724(31)3023(27(29)32)16212012671322(20)2825(21)26(30)181091119(1518)332h6791315232628H358141617H212H3t2326?m0s1
MFCD04146489
ZINC000002107054
ZINC000002107055
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