Vitas-M small molecule compound

(12bS)-2-cyclopropyl-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
STL531221
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C1CC1

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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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-4-13-35-22-12-9-17(14-23(22)34-3)20-15-31-24(32)16-30(18-10-11-18)27(33)28(31,2)26-25(20)19-7-5-6-8-21(19)29-26/h5-9,12,14,18,20,29H,4,10-11,13,15-16H2,1-3H3/t20?,28-/m0/s1
InChIKey
ZJANAWUYRPPKFZ-GPIXMLASSA-N
Synonyms
956971-12-3
(12bS)2cyclopropyl7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopropyl7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopropyl9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402533
956971123
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CC1
InChI=1SC28H31N3O4c1413352212917(1423(22)343)20153124(32)1630(18101118)27(33)28(312)2625(20)19756821(19)2926h591214182029H41011131516H213H3t20?28m0s1
MFCD06493872
ZINC000008788823
ZINC000008788825

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Available files

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