Vitas-M small molecule compound

(2S,3S)-2-(2-((11aS)-5-(3-chlorophenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamido)-3-hydroxybutanoic acid

Catalog ID
STL529750
SMILES Clc1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)N[C@H](C(=O)O)C(O)C

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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 C30H25ClN4O6 MW 573.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O6/c1-15(36)24(29(39)40)33-27(37)19-10-3-5-12-22(19)35-28(38)23-14-20-18-9-2-4-11-21(18)32-25(20)26(34(23)30(35)41)16-7-6-8-17(31)13-16/h2-13,15,23-24,26,32,36H,14H2,1H3,(H,33,37)(H,39,40)/t15?,23-,24-,26?/m0/s1
InChIKey
ZWCZZKQDONHMCA-ALNWZNNWSA-N
Synonyms
956980-92-0
(2~(S))2((2((15~(S))10(3chlorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)3hydroxybutanoicacid
(2R3R)2(2((11aS)5(3chlorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)3hydroxybutanoicacid
16405801
956980920
Clc1cccc(c1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)N(C@@H)(C(=O)O)C(O)C
InChI=1SC30H25ClN4O6c115(36)24(29(39)40)3327(37)1910351222(19)3528(38)231420189241121(18)3225(20)26(34(23)30(35)41)1676817(31)1316h213152324263236H14H21H3(H3337)(H3940)t15?232426?m0s1
MFCD07209813
ZINC000070705759
ZINC000070705771

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Available files

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