Vitas-M small molecule compound
ethyl 2-{3-[(Z)-{(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK153084
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\S/C(=N\c2ccc(cc2)F)/NC1=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 C27H26FN3O3S2 MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O3S2/c1-4-34-26(33)23-20-7-5-6-8-21(20)35-25(23)31-15(2)13-17(16(31)3)14-22-24(32)30-27(36-22)29-19-11-9-18(28)10-12-19/h9-14H,4-8H2,1-3H3,(H,29,30,32)/b22-14-InChIKey
VMYNSQYMRJCTRE-HMAPJEAMSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N=C(S4)NC5=CC=C(C=C5)F)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1SC(=Nc2ccc(cc2)F)NC1=O
ethyl2(3((Z)((2Z)2((4fluorophenyl)imino)4oxo13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)(2(4fluoroanilino)4oxo13thiazol5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H26FN3O3S2c143426(33)2320756821(20)3525(23)3115(2)1317(16(31)3)142224(32)3027(3622)291911918(28)101219h914H48H213H3(H293032)b2214
MFCD04041808
ZINC000008861795
ZINC08861795
ZINC8861795
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