Vitas-M small molecule compound

(12bS)-7-(2-chlorophenyl)-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529358
SMILES COc1cc(cc(c1OC)OC)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccccc1Cl)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 C31H30ClN3O5 MW 560.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O5/c1-31-29-27(20-10-6-8-12-23(20)33-29)21(19-9-5-7-11-22(19)32)16-35(31)26(36)17-34(30(31)37)15-18-13-24(38-2)28(40-4)25(14-18)39-3/h5-14,21,33H,15-17H2,1-4H3/t21?,31-/m0/s1
InChIKey
WUSIPMSSDBFDLU-LAUUFCHVSA-N
Synonyms
956956-70-0
(12bS)7(2chlorophenyl)12bmethyl2(345trimethoxybenzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2chlorophenyl)12bmethyl2(345trimethoxybenzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2chlorophenyl)2methyl4((345trimethoxyphenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404340
956956700
COc1cc(cc(c1OC)OC)CN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccccc1Cl)cccc3
InChI=1SC31H30ClN3O5c1312927(2010681223(20)3329)21(199571122(19)32)1635(31)26(36)1734(30(31)37)15181324(382)28(404)25(1418)393h5142133H1517H214H3t21?31m0s1
MFCD06766813
ZINC000070700400
ZINC000070700403

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Available files

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