Vitas-M small molecule compound

(12bS)-2-(3-butoxypropyl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL530509
SMILES CCCCOCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)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 C32H41N3O5 MW 547.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N3O5/c1-5-7-17-39-18-10-15-34-21-28(36)35-20-24(22-13-14-26(40-16-6-2)27(19-22)38-4)29-23-11-8-9-12-25(23)33-30(29)32(35,3)31(34)37/h8-9,11-14,19,24,33H,5-7,10,15-18,20-21H2,1-4H3/t24?,32-/m0/s1
InChIKey
YARJKWXHOSFYSP-TWAVRPEISA-N
Synonyms
956995-29-2
(12bS)2(3butoxypropyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(3butoxypropyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(3butoxypropyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403540
956995292
CCCCOCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)cccc3
InChI=1SC32H41N3O5c1571739181015342128(36)352024(22131426(401662)27(1922)384)292311891225(23)3330(29)32(353)31(34)37h891114192433H571015182021H214H3t24?32m0s1
MFCD06496016
ZINC000070698858
ZINC000070698862

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.