Vitas-M small molecule compound
methyl 4-(4-hydroxy-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Catalog ID
STK905123
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)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 C35H27N3O6S2 MW 649.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O6S2/c1-19-16-25-17-23(14-15-27(25)44-19)30(39)28-29(21-10-12-22(13-11-21)33(42)43-2)38(32(41)31(28)40)34-36-37-35(46-34)45-18-24-8-5-7-20-6-3-4-9-26(20)24/h3-15,17,19,29,40H,16,18H2,1-2H3InChIKey
ZNGDINUGIZESKQ-UHFFFAOYSA-NSynonyms
methyl4(4hydroxy3((2methyl23dihydro1benzofuran5yl)carbonyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5oxo25dihydro1Hpyrrol2yl)benzoate
methyl4(4hydroxy3(2methyl23dihydrobenzofuran5carbonyl)1(5((naphthalen1ylmethyl)thio)134thiadiazol2yl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD18065062
ZINC000097970086
ZINC000097970089
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