Vitas-M small molecule compound
(12bS)-2-cyclopropyl-7-(2,3-dimethoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL531379
SMILES COc1c(OC)cccc1C1CN2C(=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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-26-24-22(17-7-4-5-9-19(17)27-24)18(16-8-6-10-20(32-2)23(16)33-3)13-29(26)21(30)14-28(25(26)31)15-11-12-15/h4-10,15,18,27H,11-14H2,1-3H3/t18?,26-/m0/s1InChIKey
HMWQBUPTQYVTNM-IHZSNKTASA-NSynonyms
956995-02-1(12bS)2cyclopropyl7(23dimethoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopropyl7(23dimethoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopropyl9(23dimethoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403297
956995021
COc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CC1
InChI=1SC26H27N3O4c1262422(17745919(17)2724)18(16861020(322)23(16)333)1329(26)21(30)1428(25(26)31)15111215h410151827H1114H213H3t18?26m0s1
MFCD06495517
ZINC000008789634
ZINC000008789635
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