Vitas-M small molecule compound
(12aR)-2-(3-methylbutyl)-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
STL528216
SMILES COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)CCC(C)C
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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/c1-16(2)10-11-30-15-24(32)31-21(28(30)33)14-19-18-8-6-7-9-20(18)29-25(19)26(31)17-12-22(34-3)27(36-5)23(13-17)35-4/h6-9,12-13,16,21,26,29H,10-11,14-15H2,1-5H3/t21-,26?/m1/s1InChIKey
GFHAASLYPJJUBP-OSMGYRLQSA-NSynonyms
(12aR)2(3methylbutyl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2isopentyl6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(3methylbutyl)2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44714869
COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC(C)C
InChI=1SC28H33N3O5c116(2)1011301524(32)3121(28(30)33)141918867920(18)2925(19)26(31)171222(343)27(365)23(1317)354h69121316212629H10111415H215H3t2126?m1s1
MFCD03852385
ZINC000016031448
ZINC000016031450
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