Vitas-M small molecule compound
ethyl (2E)-2-[(4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)imino]-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL543603
SMILES CCOC(=O)c1s/c(=N/C(=O)CCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]c1C
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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 C32H38N4O8S MW 638.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O8S/c1-7-44-31(40)30-17(2)34-32(45-30)36-26(39)9-8-14-33-23-13-11-20-21(16-24(23)38)22(35-18(3)37)12-10-19-15-25(41-4)28(42-5)29(43-6)27(19)20/h11,13,15-16,22H,7-10,12,14H2,1-6H3,(H,33,38)(H,35,37)(H,34,36,39)InChIKey
RDUGJGKXPZDMSK-UHFFFAOYSA-NSynonyms
110209857
ethyl(2E)2((4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2(4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)4methyl13thiazole5carboxylate
InChI=1SC32H38N4O8Sc174431(40)3017(2)3432(4530)3626(39)9814332313112021(1624(23)38)22(3518(3)37)1210191525(414)28(425)29(436)27(19)20h1113151622H7101214H216H3(H3338)(H3537)(H343639)
MFCD31755882
ZINC000217859203
ZINC000252549315
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