Vitas-M small molecule compound

(12bS)-2-[2-(2-fluorophenyl)ethyl]-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
STL529298
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1ccccc1F

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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 C33H34FN3O4 MW 555.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34FN3O4/c1-4-17-41-27-14-13-22(18-28(27)40-3)24-19-37-29(38)20-36(16-15-21-9-5-7-11-25(21)34)32(39)33(37,2)31-30(24)23-10-6-8-12-26(23)35-31/h5-14,18,24,35H,4,15-17,19-20H2,1-3H3/t24?,33-/m0/s1
InChIKey
DOISFNMYYHXVBA-RULBIBMZSA-N
Synonyms
956967-41-2
(12bS)2(2(2fluorophenyl)ethyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2fluorophenethyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2(2fluorophenyl)ethyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404605
956967412
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccccc1F
InChI=1SC33H34FN3O4c14174127141322(1828(27)403)24193729(38)2036(1615219571125(21)34)32(39)33(372)3130(24)2310681226(23)3531h514182435H415171920H213H3t24?33m0s1
MFCD06767592
ZINC000070700784
ZINC000070700786

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Available files

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