Vitas-M small molecule compound
(2S,3R)-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)-3-methylpentanoic acid
Catalog ID
STL532383
SMILES CCC([C@@H](C(=O)O)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)OC)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 C33H32N4O6 MW 580.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O6/c1-4-18(2)27(32(40)41)35-30(38)22-10-6-8-12-25(22)37-31(39)26-17-23-21-9-5-7-11-24(21)34-28(23)29(36(26)33(37)42)19-13-15-20(43-3)16-14-19/h5-16,18,26-27,29,34H,4,17H2,1-3H3,(H,35,38)(H,40,41)/t18?,26-,27-,29?/m0/s1InChIKey
LOTHQIOSNMJAEY-AAPCLKOYSA-NSynonyms
956991-66-5(2~(S))2((2((15~(S))10(4methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)3methylpentanoicacid
(2S3R)2(2((11aS)5(4methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)3methylpentanoicacid
16405577
956991665
CCC((C@@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)OC)c1c(C2)c2ccccc2(nH)1)C
InChI=1SC33H32N4O6c1418(2)27(32(40)41)3530(38)2210681225(22)3731(39)261723219571124(21)3428(23)29(36(26)33(37)42)19131520(433)161419h5161826272934H417H213H3(H3538)(H4041)t18?262729?m0s1
ZINC000070705007
ZINC000070705018
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.