Vitas-M small molecule compound
(2S,3R)-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-methylpentanoic acid
Catalog ID
STL533741
SMILES CCC([C@@H](C(=O)O)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1cccc(c1)Cl)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 C32H29ClN4O5 MW 585.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN4O5/c1-3-17(2)26(31(40)41)35-29(38)21-12-5-7-14-24(21)37-30(39)25-16-22-20-11-4-6-13-23(20)34-27(22)28(36(25)32(37)42)18-9-8-10-19(33)15-18/h4-15,17,25-26,28,34H,3,16H2,1-2H3,(H,35,38)(H,40,41)/t17?,25-,26-,28?/m0/s1InChIKey
CAOOAFSWHQXVLI-UIQYBXEZSA-NSynonyms
956197-30-1(2~(S))2((2((15~(S))10(3chlorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)3methylpentanoicacid
(2S3R)2(2((11aS)5(3chlorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)3methylpentanoicacid
16405725
956197301
CCC((C@@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1cccc(c1)Cl)c1c(C2)c2ccccc2(nH)1)C
InChI=1SC32H29ClN4O5c1317(2)26(31(40)41)3529(38)2112571424(21)3730(39)2516222011461323(20)3427(22)28(36(25)32(37)42)18981019(33)1518h4151725262834H316H212H3(H3538)(H4041)t17?252628?m0s1
ZINC000070705463
ZINC000070705472
Check stock
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Check stock on Vitas-MAvailable files
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