Vitas-M small molecule compound
ethyl (5Z)-5-{[1-(2-amino-2-oxoethyl)-1H-indol-3-yl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL417343
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2cn(c3c2cccc3)CC(=O)N)/C1=O
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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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-3-33-25(31)22-23(30)20(34-24(22)27-16-8-10-17(32-2)11-9-16)12-15-13-28(14-21(26)29)19-7-5-4-6-18(15)19/h4-13,27H,3,14H2,1-2H3,(H2,26,29)/b20-12-InChIKey
VXIPSUIVLCQWPE-NDENLUEZSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2cn(c3c2cccc3)CC(=O)N)C1=O
CCOC(=O)C1=C(SC(=CC2=CN(C3=CC=CC=C32)CC(=O)N)C1=O)NC4=CC=C(C=C4)OC
ethyl(5Z)5((1(2amino2oxoethyl)1Hindol3yl)methylidene)2((4methoxyphenyl)amino)4oxo45dihydrothiophene3carboxylate
ethyl(5Z)5((1(2amino2oxoethyl)indol3yl)methylidene)2(4methoxyanilino)4oxothiophene3carboxylate
InChI=1SC25H23N3O5Sc133325(31)2223(30)20(3424(22)271681017(322)11916)12151328(1421(26)29)19754618(15)19h41327H314H212H3(H22629)b2012
MFCD30707143
ZINC000220969587
ZINC220969587
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