Vitas-M small molecule compound

(12bS)-7-(4-chlorophenyl)-12b-methyl-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529038
SMILES CC(OCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)Cl)cccc3)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 C27H30ClN3O3 MW 480.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN3O3/c1-17(2)34-14-6-13-30-16-23(32)31-15-21(18-9-11-19(28)12-10-18)24-20-7-4-5-8-22(20)29-25(24)27(31,3)26(30)33/h4-5,7-12,17,21,29H,6,13-16H2,1-3H3/t21?,27-/m0/s1
InChIKey
TUUMGAZRFXSMNF-YQAGWJQESA-N
Synonyms
956992-45-3
(12bS)7(4chlorophenyl)12bmethyl2(3(propan2yloxy)propyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4chlorophenyl)2(3isopropoxypropyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4chlorophenyl)2methyl4(3propan2yloxypropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402549
956992453
CC(OCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)Cl)cccc3)C
InChI=1SC27H30ClN3O3c117(2)3414613301623(32)311521(1891119(28)121018)2420745822(20)2925(24)27(313)26(30)33h45712172129H61316H213H3t21?27m0s1
MFCD06493902
ZINC000008788856
ZINC000008788857

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Available files

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