Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2-phenylethyl)-1H-benzimidazol-5-yl]isoleucinamide
Catalog ID
STL545853
SMILES CCC(C(C(=O)Nc1ccc2c(c1)nc([nH]2)CCc1ccccc1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C42H47N5O6 MW 717.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H47N5O6/c1-7-24(2)39(42(50)44-28-15-18-32-34(22-28)46-37(45-32)20-13-26-11-9-8-10-12-26)47-33-19-16-29-30(23-35(33)49)31(43-25(3)48)17-14-27-21-36(51-4)40(52-5)41(53-6)38(27)29/h8-12,15-16,18-19,21-24,31,39H,7,13-14,17,20H2,1-6H3,(H,43,48)(H,4InChIKey
UJMRFMVRHLFUPD-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2phenethyl1Hbenzo(d)imidazol5yl)pentanamide
122169711
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(2phenylethyl)3~(H)benzimidazol5yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)nc((nH)2)CCc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC42H47N5O6c1724(2)39(42(50)442815183234(2228)4637(4532)2013261198101226)473319162930(2335(33)49)31(4325(3)48)1714272136(514)40(525)41(536)38(27)29h8121516181921243139H713141720H216H3(H4348)(H4450)(H4546)(H4749)
MFCD31756306
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2phenylethyl)1Hbenzimidazol5yl)isoleucinamide
ZINC000409415127
ZINC000409415130
Check stock
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Check stock on Vitas-MAvailable files
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