Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]hexanamide
Catalog ID
STL547472
SMILES COc1ccc(cc1OC)C(C(C)C)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C39H51N3O8 MW 689.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H51N3O8/c1-23(2)37(26-14-18-32(46-4)33(21-26)47-5)42-35(45)12-10-9-11-19-40-30-17-15-27-28(22-31(30)44)29(41-24(3)43)16-13-25-20-34(48-6)38(49-7)39(50-8)36(25)27/h14-15,17-18,20-23,29,37H,9-13,16,19H2,1-8H3,(H,40,44)(H,41,43)(H,42,45)/t29-,37?InChIKey
JWEXDYPNLJQQOM-VFIQEOMOSA-NSynonyms
121541971
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(34dimethoxyphenyl)2methylpropyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)hexanamide
6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)hexanamide
COc1ccc(cc1OC)C(C(C)C)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC39H51N3O8c123(2)37(26141832(464)33(2126)475)4235(45)121091119403017152728(2231(30)44)29(4124(3)43)1613252034(486)38(497)39(508)36(25)27h1415171820232937H9131619H218H3(H4044)(H4143)(H4245)t2937?m0s1
ZINC000263585542
ZINC000263585543
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.