Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-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
STL529257
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-6-36-26-19(11-9-13-23(26)35-5)21-16-32-24(33)17-31(15-14-18(2)3)28(34)29(32,4)27-25(21)20-10-7-8-12-22(20)30-27/h7-13,18,21,30H,6,14-17H2,1-5H3/t21?,29-/m0/s1InChIKey
RXFCATMVFZECIQ-TXMUIZFDSA-NSynonyms
956936-37-1(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2(3methylbutyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)2isopentyl12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)2methyl4(3methylbutyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402913
956936371
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCC(C)C
InChI=1SC29H35N3O4c16362619(1191323(26)355)21163224(33)1731(151418(2)3)28(34)29(324)2725(21)2010781222(20)3027h713182130H61417H215H3t21?29m0s1
MFCD06494682
ZINC000008789202
ZINC000008789203
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