Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-pentyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536721
SMILES CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OCC)[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/c1-3-5-10-15-29-17-24(31)30-22(27(29)32)16-20-18-11-6-8-13-21(18)28-25(20)26(30)19-12-7-9-14-23(19)33-4-2/h6-9,11-14,22,26,28H,3-5,10,15-17H2,1-2H3/t22-,26?/m0/s1InChIKey
ZKKGOKHZPTYVOE-CHQVSRGASA-NSynonyms
956954-66-8(12aS)6(2ethoxyphenyl)2pentyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2pentyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6pentyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400040
956954668
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2
InChI=1SC27H31N3O3c1351015291724(31)3022(27(29)32)16201811681321(18)2825(20)26(30)1912791423(19)3342h691114222628H35101517H212H3t2226?m0s1
MFCD05670753
ZINC000002108427
ZINC000002108429
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