Vitas-M small molecule compound
(12aS)-2-pentyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537692
SMILES CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-5-6-9-12-30-16-24(32)31-21(28(30)33)15-19-18-10-7-8-11-20(18)29-25(19)26(31)17-13-22(34-2)27(36-4)23(14-17)35-3/h7-8,10-11,13-14,21,26,29H,5-6,9,12,15-16H2,1-4H3/t21-,26?/m0/s1InChIKey
IIWCHMHOHWWUJO-GVNKFJBHSA-NSynonyms
956942-99-7(12aS)2pentyl6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2pentyl6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6pentyl2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399938
956942997
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)(nH)c2c1cccc2
InChI=1SC28H33N3O5c156912301624(32)3121(28(30)33)15191810781120(18)2925(19)26(31)171322(342)27(364)23(1417)353h7810111314212629H569121516H214H3t2126?m0s1
MFCD04146583
ZINC000002107251
ZINC000002107253
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