Vitas-M small molecule compound
(12bS)-2-cyclopentyl-7-(4-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528645
SMILES COc1ccc(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 C27H29N3O3 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3/c1-27-25-24(20-9-5-6-10-22(20)28-25)21(17-11-13-19(33-2)14-12-17)15-30(27)23(31)16-29(26(27)32)18-7-3-4-8-18/h5-6,9-14,18,21,28H,3-4,7-8,15-16H2,1-2H3/t21?,27-/m0/s1InChIKey
BZUCWLFGQYAQAP-YQAGWJQESA-NSynonyms
956966-66-8(12bS)2cyclopentyl7(4methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopentyl7(4methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopentyl9(4methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402311
956966668
COc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CCCC1
InChI=1SC27H29N3O3c1272524(209561022(20)2825)21(17111319(332)141217)1530(27)23(31)1629(26(27)32)18734818h56914182128H34781516H212H3t21?27m0s1
MFCD06493363
ZINC000012876010
ZINC000012876020
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