Vitas-M small molecule compound
(12bS)-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2-(2-methylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533538
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CC(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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-17(2)14-31-16-25(33)32-15-21(19-11-12-23(36-18(3)4)24(13-19)35-6)26-20-9-7-8-10-22(20)30-27(26)29(32,5)28(31)34/h7-13,17-18,21,30H,14-16H2,1-6H3/t21?,29-/m0/s1InChIKey
FSDQQMWAVODHIT-TXMUIZFDSA-NSynonyms
956917-95-6(12bS)2isobutyl7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(3methoxy4(propan2yloxy)phenyl)12bmethyl2(2methylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))9(3methoxy4propan2yloxyphenyl)2methyl4(2methylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403373
956917956
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CC(C)C
InChI=1SC29H35N3O4c117(2)14311625(33)321521(19111223(3618(3)4)24(1319)356)26209781022(20)3027(26)29(325)28(31)34h71317182130H1416H216H3t21?29m0s1
MFCD06495683
ZINC000008789688
ZINC000008789689
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