Vitas-M small molecule compound
(12bS)-2-butyl-7-(4-ethylphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528743
SMILES CCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)CC)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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-4-6-15-29-17-23(31)30-16-21(19-13-11-18(5-2)12-14-19)24-20-9-7-8-10-22(20)28-25(24)27(30,3)26(29)32/h7-14,21,28H,4-6,15-17H2,1-3H3/t21?,27-/m0/s1InChIKey
RHLKLMLPBKENFV-YQAGWJQESA-NSynonyms
956992-46-4(12bS)2butyl7(4ethylphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2butyl7(4ethylphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butyl9(4ethylphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402570
956992464
CCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)CC)cccc3
InChI=1SC27H31N3O2c14615291723(31)301621(19131118(52)121419)24209781022(20)2825(24)27(303)26(29)32h7142128H461517H213H3t21?27m0s1
MFCD06493933
ZINC000004083253
ZINC000004083255
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