Vitas-M small molecule compound
(12bS)-9-methoxy-12b-methyl-2-(3-methylbutyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL540680
SMILES COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)CCC(C)C
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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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-13(2)7-9-23-12-18(25)24-10-8-15-16-11-14(27-4)5-6-17(16)22-19(15)21(24,3)20(23)26/h5-6,11,13,22H,7-10,12H2,1-4H3/t21-/m0/s1InChIKey
WIDAHMIHWQREFT-NRFANRHFSA-NSynonyms
956746-88-6(12bS)9methoxy12bmethyl2(3methylbutyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))13methoxy2methyl4(3methylbutyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
(S)2isopentyl9methoxy12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
6570511
956746886
COc1ccc2c(c1)c1CCN3(C@)(c1(nH)2)(C)C(=O)N(CC3=O)CCC(C)C
InChI=1SC21H27N3O3c113(2)79231218(25)2410815161114(274)5617(16)2219(15)21(243)20(23)26h56111322H71012H214H3t21m0s1
MFCD05670941
ZINC000004073167
ZINC4073167
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