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(12bS)-2-(1-benzylpiperidin-4-yl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL528989
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C1CCN(CC1)Cc1ccccc1

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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 C37H42N4O4 MW 606.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O4/c1-4-20-45-31-15-14-26(21-32(31)44-3)29-23-41-33(42)24-40(27-16-18-39(19-17-27)22-25-10-6-5-7-11-25)36(43)37(41,2)35-34(29)28-12-8-9-13-30(28)38-35/h5-15,21,27,29,38H,4,16-20,22-24H2,1-3H3/t29?,37-/m0/s1
InChIKey
NPTNXTMTIFUQIQ-SUKJUDMCSA-N
Synonyms
956813-50-6
(12bS)2(1benzylpiperidin4yl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(1benzylpiperidin4yl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(1benzylpiperidin4yl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403665
956813506
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CCN(CC1)Cc1ccccc1
InChI=1SC37H42N4O4c14204531151426(2132(31)443)29234133(42)2440(27161839(191727)2225106571125)36(43)37(412)3534(29)2812891330(28)3835h51521272938H416202224H213H3t29?37m0s1
MFCD06764933
ZINC000070699076
ZINC000070699077

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Available files

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

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