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-2-yl)-1,3-thiazol-2(3H)-ylidene]leucinamide
Catalog ID
STL540196
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)/N=c/2\scc([nH]2)c2ccccn2)CC(C)C)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 C35H39N5O6S MW 657.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O6S/c1-19(2)15-27(34(43)40-35-39-28(18-47-35)25-9-7-8-14-36-25)38-26-13-11-22-23(17-29(26)42)24(37-20(3)41)12-10-21-16-30(44-4)32(45-5)33(46-6)31(21)22/h7-9,11,13-14,16-19,24,27H,10,12,15H2,1-6H3,(H,37,41)(H,38,42)(H,39,40,43)InChIKey
QIKHSHSFNBBQID-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(pyridin2yl)13thiazol2(3H)ylidene)leucinamide
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(4pyridin2yl13thiazol2yl)pentanamide
75356621
InChI=1SC35H39N5O6Sc119(2)1527(34(43)40353928(184735)25978143625)382613112223(1729(26)42)24(3720(3)41)1210211630(444)32(455)33(466)31(21)22h7911131416192427H101215H216H3(H3741)(H3842)(H394043)
MFCD31755025
ZINC000150652960
ZINC000206241348
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