Vitas-M small molecule compound
ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317721
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(o2)Cn2ncc(c2)Cl)sc2c1CCC(C2)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 C22H23ClN4O4S2 MW 507.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O4S2/c1-3-30-21(29)18-15-6-4-12(2)8-17(15)33-20(18)26-22(32)25-19(28)16-7-5-14(31-16)11-27-10-13(23)9-24-27/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H2,25,26,28,32)InChIKey
UBMMPWIYJFDHNY-UHFFFAOYSA-NSynonyms
494219-46-4494219464
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl
ethyl2((((5((4chloro1Hpyrazol1yl)methyl)furan2yl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((5((4chloropyrazol1yl)methyl)furan2carbonyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H23ClN4O4S2c133021(29)18156412(2)817(15)3320(18)2622(32)2519(28)167514(3116)11271013(23)92427h5791012H346811H212H3(H225262832)
MFCD02608948
ZINC000002109012
ZINC000002109014
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