Vitas-M small molecule compound

(11bS)-6-(3-ethoxy-4-propoxyphenyl)-11b-methyl-2-(4-nitrophenyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione

Catalog ID
STL529183
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)N(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)c1ccc(cc1)[N+](=O)[O-]

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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 C31H30N4O6 MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O6/c1-4-16-41-25-15-10-19(17-26(25)40-5-2)23-18-33-30(37)34(20-11-13-21(14-12-20)35(38)39)29(36)31(33,3)28-27(23)22-8-6-7-9-24(22)32-28/h6-15,17,23,32H,4-5,16,18H2,1-3H3/t23?,31-/m0/s1
InChIKey
BIENOZAXCPQCLM-HPTWYVLESA-N
Synonyms
956992-88-4
(11bS)6(3ethoxy4propoxyphenyl)11bmethyl2(4nitrophenyl)561111btetrahydro1Himidazo(1512)pyrido(34b)indole13(2H)dione
(2~(S))8(3ethoxy4propoxyphenyl)2methyl4(4nitrophenyl)4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraene35dione
16405068
956992884
CCCOc1ccc(cc1OCC)C1CN2C(=O)N(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H30N4O6c14164125151019(1726(25)4052)23183330(37)34(20111321(141220)35(38)39)29(36)31(333)2827(23)22867924(22)3228h615172332H451618H213H3t23?31m0s1
MFCD06768921
ZINC000070701337
ZINC000070701341

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Available files

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