Vitas-M small molecule compound
(2S,3S)-3-hydroxy-2-(2-((11aS)-5-(4-methoxyphenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamido)butanoic acid
Catalog ID
STL531365
SMILES COc1ccc(cc1)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 C31H28N4O7 MW 568.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O7/c1-16(36)25(30(39)40)33-28(37)20-8-4-6-10-23(20)35-29(38)24-15-21-19-7-3-5-9-22(19)32-26(21)27(34(24)31(35)41)17-11-13-18(42-2)14-12-17/h3-14,16,24-25,27,32,36H,15H2,1-2H3,(H,33,37)(H,39,40)/t16?,24-,25-,27?/m0/s1InChIKey
GHHJKYMMPLYQAF-SKRPHMHZSA-NSynonyms
956970-29-9(2~(S))3hydroxy2((2((15~(S))10(4methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)butanoicacid
(2R3R)3hydroxy2(2((11aS)5(4methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)butanoicacid
16406179
956970299
COc1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)N(C@@H)(C(=O)O)C(O)C
InChI=1SC31H28N4O7c116(36)25(30(39)40)3328(37)208461023(20)3529(38)24152119735922(19)3226(21)27(34(24)31(35)41)17111318(422)141217h314162425273236H15H212H3(H3337)(H3940)t16?242527?m0s1
MFCD07201772
ZINC000070707110
ZINC000070707115
Check stock
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Check stock on Vitas-MAvailable files
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