Vitas-M small molecule compound

(12bS)-2-[2-(4-chlorophenyl)ethyl]-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
STL529367
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1ccc(cc1)Cl

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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 C34H36ClN3O4 MW 586.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36ClN3O4/c1-4-18-42-28-15-12-23(19-29(28)41-5-2)26-20-38-30(39)21-37(17-16-22-10-13-24(35)14-11-22)33(40)34(38,3)32-31(26)25-8-6-7-9-27(25)36-32/h6-15,19,26,36H,4-5,16-18,20-21H2,1-3H3/t26?,34-/m0/s1
InChIKey
AGYONRDEIGEQEK-BFZOCEIISA-N
Synonyms
956967-49-0
(12bS)2(2(4chlorophenyl)ethyl)7(3ethoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(4chlorophenethyl)7(3ethoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2(4chlorophenyl)ethyl)9(3ethoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404625
956967490
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccc(cc1)Cl
InChI=1SC34H36ClN3O4c14184228151223(1929(28)4152)26203830(39)2137(171622101324(35)141122)33(40)34(383)3231(26)25867927(25)3632h615192636H4516182021H213H3t26?34m0s1
MFCD06767654
ZINC000070700804
ZINC000070700807

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Available files

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