Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-{5-[(3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL392596
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(o1)COc1cc(C)cc(c1)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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c1-15-8-16(2)10-19(9-15)31-12-18-5-4-17(32-18)11-24-28-13-23-25-22(28)33-14-27-7-6-20(26-27)21(29)30-3/h4-11,13H,12,14H2,1-3H3/b24-11+InChIKey
RYSHDXAHVUJQHK-BHGWPJFGSA-NSynonyms
1005589-64-91005589649
CC1=CC(=CC(=C1)OCC2=CC=C(O2)C=NN3C=NN=C3SCN4C=CC(=N4)C(=O)OC)C
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(o1)COc1cc(C)cc(c1)C
InChI=1SC22H22N6O4Sc115816(2)1019(915)3112185417(3218)11242813232522(28)3314277620(2627)21(29)303h41113H1214H213H3b2411+
methyl1(((4(((E)(5((35dimethylphenoxy)methyl)furan2yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(5((35dimethylphenoxy)methyl)furan2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667801
ZINC000002733886
ZINC2733885
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