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-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]isoleucinamide
Catalog ID
STL550490
SMILES CCC(C(C(=O)Nc1n[nH]c(n1)COc1ccccc1)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 C36H42N6O7 MW 670.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N6O7/c1-7-20(2)32(35(45)40-36-39-30(41-42-36)19-49-23-11-9-8-10-12-23)38-27-16-14-24-25(18-28(27)44)26(37-21(3)43)15-13-22-17-29(46-4)33(47-5)34(48-6)31(22)24/h8-12,14,16-18,20,26,32H,7,13,15,19H2,1-6H3,(H,37,43)(H,38,44)(H2,39,40,41,42,45)InChIKey
VJZRKBGMEOELBV-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(3(phenoxymethyl)1H124triazol5yl)pentanamide
132286443
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5(phenoxymethyl)1~(H)124triazol3yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1(nH)nc(n1)COc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H42N6O7c1720(2)32(35(45)40363930(414236)1949231198101223)382716142425(1828(27)44)26(3721(3)43)1513221729(464)33(475)34(486)31(22)24h812141618202632H7131519H216H3(H3743)(H3844)(H23940414245)
MFCD31757616
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(phenoxymethyl)1H124triazol3yl)isoleucinamide
ZINC000888090376
ZINC000888090379
Check stock
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Check stock on Vitas-MAvailable files
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