Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-hexyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537953
SMILES CCCCCCN1CC(=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 C28H33N3O3 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3/c1-3-5-6-11-16-30-18-25(32)31-23(28(30)33)17-21-19-12-7-9-14-22(19)29-26(21)27(31)20-13-8-10-15-24(20)34-4-2/h7-10,12-15,23,27,29H,3-6,11,16-18H2,1-2H3/t23-,27?/m0/s1InChIKey
IJYHKWJSQCDTEG-DCCUJTHKSA-NSynonyms
956920-64-2(12aS)6(2ethoxyphenyl)2hexyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2hexyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6hexyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400436
956920642
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2
InChI=1SC28H33N3O3c13561116301825(32)3123(28(30)33)17211912791422(19)2926(21)27(31)20138101524(20)3442h7101215232729H36111618H212H3t2327?m0s1
MFCD05671406
ZINC000002109972
ZINC000012864685
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