Vitas-M small molecule compound
(2R)-({(2S)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanoyl}amino)(phenyl)ethanoic acid
Catalog ID
STL533672
SMILES OC(=O)[C@@H](c1ccccc1)NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(C)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 C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/c1-15(2)21(23(32)29-20(24(33)34)16-9-5-4-6-10-16)31-25(35)27(3)22-18(13-14-30(27)26(31)36)17-11-7-8-12-19(17)28-22/h4-12,15,20-21,28H,13-14H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,27+/m1/s1InChIKey
AGEVFDPCVCSAAH-BUEREQSYSA-NSynonyms
956936-31-5(2~(R))2(((2~(S))3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanoyl)amino)2phenylaceticacid
(2R)(((2S)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanoyl)amino)(phenyl)ethanoicacid
(R)2((S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamido)2phenylaceticacid
16402879
956936315
InChI=1SC27H28N4O5c115(2)21(23(32)2920(24(33)34)1695461016)3125(35)27(3)2218(131430(27)26(31)36)1711781219(17)2822h41215202128H1314H213H3(H2932)(H3334)t2021+27+m1s1
OC(=O)(C@@H)(c1ccccc1)NC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(C)C
ZINC000008789179
ZINC8789179
Check stock
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Check stock on Vitas-MAvailable files
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