Vitas-M small molecule compound
methyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]valyl}imino)-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL541291
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(C(C)C)Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1CC(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 C35H44N4O8S MW 680.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N4O8S/c1-17(2)14-27-30(34(43)47-9)38-35(48-27)39-33(42)29(18(3)4)37-24-13-11-21-22(16-25(24)41)23(36-19(5)40)12-10-20-15-26(44-6)31(45-7)32(46-8)28(20)21/h11,13,15-18,23,29H,10,12,14H2,1-9H3,(H,36,40)(H,37,41)(H,38,39,42)InChIKey
UROPIGYUIUTYAV-UHFFFAOYSA-NSynonyms
75531856
InChI=1SC35H44N4O8Sc117(2)142730(34(43)479)3835(4827)3933(42)29(18(3)4)372413112122(1625(24)41)23(3619(5)40)1210201526(446)31(457)32(468)28(20)21h111315182329H101214H219H3(H3640)(H3741)(H383942)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)valyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD31755299
ZINC000150653682
ZINC000206236785
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