Vitas-M small molecule compound
(12bS)-2-cyclopentyl-7-(4-ethylphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533528
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C1CCCC1
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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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c1-3-18-12-14-19(15-13-18)22-16-31-24(32)17-30(20-8-4-5-9-20)27(33)28(31,2)26-25(22)21-10-6-7-11-23(21)29-26/h6-7,10-15,20,22,29H,3-5,8-9,16-17H2,1-2H3/t22?,28-/m0/s1InChIKey
URJUEIZDCMMAJU-WNWQKLGWSA-NSynonyms
956995-25-8(12bS)2cyclopentyl7(4ethylphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopentyl7(4ethylphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopentyl9(4ethylphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403492
956995258
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CCCC1
InChI=1SC28H31N3O2c1318121419(151318)22163124(32)1730(20845920)27(33)28(312)2625(22)2110671123(21)2926h671015202229H35891617H212H3t22?28m0s1
MFCD06495908
ZINC000008789851
ZINC000008789852
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