Vitas-M small molecule compound
(12aS)-2-butyl-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536786
SMILES CCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(c(c2)OC)OCC)[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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-4-6-13-29-16-24(31)30-21(27(29)32)15-19-18-9-7-8-10-20(18)28-25(19)26(30)17-11-12-22(34-5-2)23(14-17)33-3/h7-12,14,21,26,28H,4-6,13,15-16H2,1-3H3/t21-,26?/m0/s1InChIKey
JWHNNBOXJCXQLJ-GVNKFJBHSA-NSynonyms
956970-86-8(12aS)2butyl6(4ethoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2butyl6(4ethoxy3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6butyl2(4ethoxy3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401613
956970868
CCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(c(c2)OC)OCC)(nH)c2c1cccc2
InChI=1SC27H31N3O4c14613291624(31)3021(27(29)32)1519189781020(18)2825(19)26(30)17111222(3452)23(1417)333h71214212628H46131516H213H3t2126?m0s1
MFCD05675601
ZINC000002120731
ZINC000002120733
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