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-(3-phenyl-1H-1,2,4-triazol-5-yl)isoleucinamide
Catalog ID
STL551484
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)c1ccccc1)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 C35H40N6O6 MW 640.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O6/c1-7-19(2)30(34(44)39-35-38-33(40-41-35)21-11-9-8-10-12-21)37-26-16-14-23-24(18-27(26)43)25(36-20(3)42)15-13-22-17-28(45-4)31(46-5)32(47-6)29(22)23/h8-12,14,16-19,25,30H,7,13,15H2,1-6H3,(H,36,42)(H,37,43)(H2,38,39,40,41,44)InChIKey
AUPVMVUPRQOWCR-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(5phenyl1H124triazol3yl)pentanamide
132286111
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5phenyl1~(H)124triazol3yl)pentanamide
InChI=1SC35H40N6O6c1719(2)30(34(44)39353833(404135)211198101221)372616142324(1827(26)43)25(3620(3)42)1513221728(454)31(465)32(476)29(22)23h8121416192530H71315H216H3(H3642)(H3743)(H23839404144)
MFCD31758165
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3phenyl1H124triazol5yl)isoleucinamide
ZINC000888089414
ZINC000888089417
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