Vitas-M small molecule compound

(12aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-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
STL528182
SMILES COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)C1CC(C)(C)NC(C1)(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 C32H40N4O5 MW 560.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N4O5/c1-31(2)15-19(16-32(3,4)34-31)35-17-26(37)36-23(30(35)38)14-21-20-10-8-9-11-22(20)33-27(21)28(36)18-12-24(39-5)29(41-7)25(13-18)40-6/h8-13,19,23,28,33-34H,14-17H2,1-7H3/t23-,28?/m1/s1
InChIKey
VSHLVWWUNXGGHJ-YFIOFSHDSA-N
Synonyms
957047-65-3
(12aR)2(2266tetramethylpiperidin4yl)6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aR)2(2266tetramethylpiperidin4yl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(R))6(2266tetramethylpiperidin4yl)2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399055
957047653
COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)(C@H)2Cc2c1(nH)c1c2cccc1)C1CC(C)(C)NC(C1)(C)C
InChI=1SC32H40N4O5c131(2)1519(1632(34)3431)351726(37)3623(30(35)38)14212010891122(20)3327(21)28(36)181224(395)29(417)25(1318)406h8131923283334H1417H217H3t2328?m1s1
MFCD03853725
ZINC000002151609
ZINC000002151612

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.