Vitas-M small molecule compound
4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]butanamide
Catalog ID
STL549391
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2[nH]nc(n2)c2c[nH]c3c2cccc3)NC(=O)C)cc(c1OC)OC
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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 C35H37N7O6 MW 651.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37N7O6/c1-19(43)38-26-13-11-20-16-29(46-2)32(47-3)33(48-4)31(20)22-12-14-27(28(44)17-23(22)26)36-15-7-10-30(45)39-35-40-34(41-42-35)24-18-37-25-9-6-5-8-21(24)25/h5-6,8-9,12,14,16-18,26,37H,7,10-11,13,15H2,1-4H3,(H,36,44)(H,38,43)(H2,39,40,41,InChIKey
QTGMVOMVUHPMDM-UHFFFAOYSA-NSynonyms
(S)N(5(1Hindol3yl)1H124triazol3yl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
135639817
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(1Hindol3yl)1H124triazol5yl)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(1~(H)indol3yl)1~(H)124triazol3yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2n(nH)c(n2)c2c(nH)c3c2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC35H37N7O6c119(43)38261311201629(462)32(473)33(484)31(20)22121427(28(44)1723(22)26)361571030(45)39354034(414235)24183725965821(24)25h5689121416182637H710111315H214H3(H3644)(H3843)(H23940414245)
MFCD31756959
ZINC000604404692
ZINC000888090746
Check stock
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Check stock on Vitas-MAvailable files
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