Vitas-M small molecule compound
ethyl (2E)-2-({(E)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL541904
SMILES CCOC(=O)c1s/c(=N/C(=O)C(C(CC)C)Nc2ccc3c(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 C34H42N4O8S MW 666.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N4O8S/c1-9-17(3)28(32(41)38-34-35-18(4)31(47-34)33(42)46-10-2)37-24-14-12-21-22(16-25(24)40)23(36-19(5)39)13-11-20-15-26(43-6)29(44-7)30(45-8)27(20)21/h12,14-17,23,28H,9-11,13H2,1-8H3,(H,36,39)(H,37,40)(H,35,38,41)InChIKey
ZJAVRNUVHJASAR-UHFFFAOYSA-NSynonyms
75531626
ethyl(2E)2(((E)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)4methyl13thiazole5carboxylate
InChI=1SC34H42N4O8Sc1917(3)28(32(41)38343518(4)31(4734)33(42)46102)372414122122(1625(24)40)23(3619(5)39)1311201526(436)29(447)30(458)27(20)21h1214172328H91113H218H3(H3639)(H3740)(H353841)
MFCD31755464
ZINC000206229177
ZINC000253371005
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