Vitas-M small molecule compound
5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK904105
SMILES CCOc1ccc(cc1OC)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=C1C(=O)c1sc(nc1C)c1ccccc1)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 C37H30N4O5S3 MW 706.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N4O5S3/c1-4-46-27-18-17-24(19-28(27)45-3)30-29(31(42)33-21(2)38-34(48-33)23-12-6-5-7-13-23)32(43)35(44)41(30)36-39-40-37(49-36)47-20-25-15-10-14-22-11-8-9-16-26(22)25/h5-19,30,43H,4,20H2,1-3H3InChIKey
NPVIZSMGCMNVCS-UHFFFAOYSA-NSynonyms
2(4ethoxy3methoxyphenyl)4hydroxy3(4methyl2phenyl13thiazole5carbonyl)1(5(naphthalen1ylmethylsulfanyl)134thiadiazol2yl)2Hpyrrol5one
5(4ethoxy3methoxyphenyl)3hydroxy4((4methyl2phenyl13thiazol5yl)carbonyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54)O)C(=O)C6=C(N=C(S6)C7=CC=CC=C7)C)OC
InChI=1SC37H30N4O5S3c144627181724(1928(27)453)3029(31(42)3321(2)3834(4833)23126571323)32(43)35(44)41(30)36394037(4936)4720251510142211891626(22)25h5193043H420H213H3
MFCD18076006
ZINC000150428557
ZINC000150428564
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