Vitas-M small molecule compound

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

Catalog ID
STL528620
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCN1CCOCC1

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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 C32H40N4O5 MW 560.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N4O5/c1-4-16-41-26-11-10-22(19-27(26)39-3)24-20-36-28(37)21-35(13-7-12-34-14-17-40-18-15-34)31(38)32(36,2)30-29(24)23-8-5-6-9-25(23)33-30/h5-6,8-11,19,24,33H,4,7,12-18,20-21H2,1-3H3/t24?,32-/m0/s1
InChIKey
YEQFEQLPKSJZOR-TWAVRPEISA-N
Synonyms
957031-58-2
(12bS)7(3methoxy4propoxyphenyl)12bmethyl2(3(morpholin4yl)propyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3methoxy4propoxyphenyl)12bmethyl2(3morpholinopropyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3methoxy4propoxyphenyl)2methyl4(3morpholin4ylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16405164
957031582
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCN1CCOCC1
InChI=1SC32H40N4O5c14164126111022(1927(26)393)24203628(37)2135(1371234141740181534)31(38)32(362)3029(24)23856925(23)3330h56811192433H4712182021H213H3t24?32m0s1
MFCD06769233
ZINC000070701441
ZINC000070701443

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Available files

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