Vitas-M small molecule compound
(2S,3R)-2-(2-((11aS)-5-(4-isopropylphenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamido)-3-methylpentanoic acid
Catalog ID
STL532953
SMILES CCC([C@@H](C(=O)O)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2[nH]1)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 C35H36N4O5 MW 592.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N4O5/c1-5-20(4)29(34(42)43)37-32(40)24-11-7-9-13-27(24)39-33(41)28-18-25-23-10-6-8-12-26(23)36-30(25)31(38(28)35(39)44)22-16-14-21(15-17-22)19(2)3/h6-17,19-20,28-29,31,36H,5,18H2,1-4H3,(H,37,40)(H,42,43)/t20?,28-,29-,31?/m0/s1InChIKey
FLKYAJBBNAYGSU-CBCONRIYSA-NSynonyms
956950-17-7(2~(S))2((2((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)3methylpentanoicacid
(2S3R)2(2((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)3methylpentanoicacid
16405455
956950177
CCC((C@@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2(nH)1)C
InChI=1SC35H36N4O5c1520(4)29(34(42)43)3732(40)2411791327(24)3933(41)2818252310681226(23)3630(25)31(38(28)35(39)44)22161421(151722)19(2)3h617192028293136H518H214H3(H3740)(H4243)t20?282931?m0s1
ZINC000070704640
ZINC000070704648
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.