Vitas-M small molecule compound
(Z)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]isoleucinamide
Catalog ID
STL544926
SMILES CCC(C(C(=O)/N=c/1\scc([nH]1)c1cccnc1)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 C35H39N5O6S MW 657.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O6S/c1-7-19(2)31(34(43)40-35-39-27(18-47-35)22-9-8-14-36-17-22)38-26-13-11-23-24(16-28(26)42)25(37-20(3)41)12-10-21-15-29(44-4)32(45-5)33(46-6)30(21)23/h8-9,11,13-19,25,31H,7,10,12H2,1-6H3,(H,37,41)(H,38,42)(H,39,40,43)InChIKey
NKGRLTRPTPULOF-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(pyridin3yl)13thiazol2(3H)ylidene)isoleucinamide
110209817
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(4pyridin3yl13thiazol2yl)pentanamide
InChI=1SC35H39N5O6Sc1719(2)31(34(43)40353927(184735)229814361722)382613112324(1628(26)42)25(3720(3)41)1210211529(444)32(455)33(466)30(21)23h891113192531H71012H216H3(H3741)(H3842)(H394043)
MFCD31756150
ZINC000252538940
ZINC000252538943
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