Vitas-M small molecule compound
(12bS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529419
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1ccc(c(c1)OC)OC
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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 C35H39N3O6 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N3O6/c1-21(2)44-28-14-12-23(18-30(28)43-6)25-19-38-31(39)20-37(16-15-22-11-13-27(41-4)29(17-22)42-5)34(40)35(38,3)33-32(25)24-9-7-8-10-26(24)36-33/h7-14,17-18,21,25,36H,15-16,19-20H2,1-6H3/t25?,35-/m0/s1InChIKey
OZDJJDCNQZEHQZ-KLVAMIKPSA-NSynonyms
956817-58-6(12bS)2(2(34dimethoxyphenyl)ethyl)7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(34dimethoxyphenethyl)7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2(34dimethoxyphenyl)ethyl)9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403800
956817586
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccc(c(c1)OC)OC
InChI=1SC35H39N3O6c121(2)4428141223(1830(28)436)25193831(39)2037(161522111327(414)29(1722)425)34(40)35(383)3332(25)249781026(24)3633h7141718212536H15161920H216H3t25?35m0s1
MFCD06765302
ZINC000070699393
ZINC000070699395
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.