Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2-propyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL532089
SMILES CCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3
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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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-5-14-29-16-22(31)30-15-19(17-11-9-13-21(33-4)24(17)34-6-2)23-18-10-7-8-12-20(18)28-25(23)27(30,3)26(29)32/h7-13,19,28H,5-6,14-16H2,1-4H3/t19?,27-/m0/s1InChIKey
WGZNBYLHSDTHGL-NZVRHLSZSA-NSynonyms
957030-11-4(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2propyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2propyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)2methyl4propyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402121
957030114
CCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3
InChI=1SC27H31N3O4c1514291622(31)301519(171191321(334)24(17)3462)231810781220(18)2825(23)27(303)26(29)32h7131928H561416H214H3t19?27m0s1
MFCD06492953
ZINC000012874235
ZINC000012874245
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