Vitas-M small molecule compound
(E)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene)isoleucinamide
Catalog ID
STL541690
SMILES CCC(C(C(=O)/N=c\1/sc2c([nH]1)CCCCC2)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 C35H44N4O6S MW 648.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N4O6S/c1-7-19(2)31(34(42)39-35-38-26-11-9-8-10-12-29(26)46-35)37-25-16-14-22-23(18-27(25)41)24(36-20(3)40)15-13-21-17-28(43-4)32(44-5)33(45-6)30(21)22/h14,16-19,24,31H,7-13,15H2,1-6H3,(H,36,40)(H,37,41)(H,38,39,42)InChIKey
SGZNILFOSWJDKC-UHFFFAOYSA-NSynonyms
(E)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)isoleucinamide
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5678tetrahydro4~(H)cyclohepta(d)(13)thiazol2yl)pentanamide
75356678
InChI=1SC35H44N4O6Sc1719(2)31(34(42)393538261198101229(26)4635)372516142223(1827(25)41)24(3620(3)40)1513211728(434)32(445)33(456)30(21)22h1416192431H71315H216H3(H3640)(H3741)(H383942)
MFCD31755411
ZINC000206242654
ZINC000253370547
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