Vitas-M small molecule compound

(12bS)-2-(5-hydroxypentyl)-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
STL529340
SMILES OCCCCCN1CC(=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 C30H37N3O5 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O5/c1-4-16-38-24-13-12-20(17-25(24)37-3)22-18-33-26(35)19-32(14-8-5-9-15-34)29(36)30(33,2)28-27(22)21-10-6-7-11-23(21)31-28/h6-7,10-13,17,22,31,34H,4-5,8-9,14-16,18-19H2,1-3H3/t22?,30-/m0/s1
InChIKey
QAULIILDBSTQOG-YBJSGSKQSA-N
Synonyms
956925-80-7
(12bS)2(5hydroxypentyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(5hydroxypentyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(5hydroxypentyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402177
956925807
InChI=1SC30H37N3O5c14163824131220(1725(24)373)22183326(35)1932(148591534)29(36)30(332)2827(22)2110671123(21)3128h67101317223134H458914161819H213H3t22?30m0s1
MFCD06493079
OCCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)cccc3
ZINC000012874761
ZINC000012874768

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Available files

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