Vitas-M small molecule compound

(12bS)-2-(2-chloro-6-fluorobenzyl)-7-(3-ethoxy-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
STL528650
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1c(F)cccc1Cl

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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 C33H33ClFN3O4 MW 590.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33ClFN3O4/c1-4-15-42-27-14-13-20(16-28(27)41-5-2)22-18-38-29(39)19-37(17-23-24(34)10-8-11-25(23)35)32(40)33(38,3)31-30(22)21-9-6-7-12-26(21)36-31/h6-14,16,22,36H,4-5,15,17-19H2,1-3H3/t22?,33-/m0/s1
InChIKey
RFBONNNTYXQDNK-HUXBHJFZSA-N
Synonyms
956827-29-5
(12bS)2(2chloro6fluorobenzyl)7(3ethoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2chloro6fluorobenzyl)7(3ethoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((2chloro6fluorophenyl)methyl)9(3ethoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404977
956827295
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1c(F)cccc1Cl
InChI=1SC33H33ClFN3O4c14154227141320(1628(27)4152)22183829(39)1937(172324(34)1081125(23)35)32(40)33(383)3130(22)219671226(21)3631h614162236H45151719H213H3t22?33m0s1
MFCD06768590
ZINC000070701265
ZINC000070701267

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Available files

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