Vitas-M small molecule compound

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

Catalog ID
STL528952
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCc1ccccc1

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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 C34H37N3O4 MW 551.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N3O4/c1-22(2)41-28-17-16-24(19-29(28)40-4)26-20-37-30(38)21-36(18-10-13-23-11-6-5-7-12-23)33(39)34(37,3)32-31(26)25-14-8-9-15-27(25)35-32/h5-9,11-12,14-17,19,22,26,35H,10,13,18,20-21H2,1-4H3/t26?,34-/m0/s1
InChIKey
TWKZZAJEHWCSSH-BFZOCEIISA-N
Synonyms
956929-92-3
(12bS)7(3methoxy4(propan2yloxy)phenyl)12bmethyl2(3phenylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4isopropoxy3methoxyphenyl)12bmethyl2(3phenylpropyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3methoxy4propan2yloxyphenyl)2methyl4(3phenylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404466
956929923
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCc1ccccc1
InChI=1SC34H37N3O4c122(2)4128171624(1929(28)404)26203730(38)2136(18101323116571223)33(39)34(373)3231(26)2514891527(25)3532h591112141719222635H1013182021H214H3t26?34m0s1
MFCD06767174
ZINC000070700608
ZINC000070700610

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Available files

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