Vitas-M small molecule compound
5-(4-ethoxyphenyl)-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
STK904113
SMILES CCOc1ccc(cc1)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 C36H28N4O4S3 MW 676.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28N4O4S3/c1-3-44-26-18-16-23(17-19-26)29-28(30(41)32-21(2)37-33(46-32)24-11-5-4-6-12-24)31(42)34(43)40(29)35-38-39-36(47-35)45-20-25-14-9-13-22-10-7-8-15-27(22)25/h4-19,29,42H,3,20H2,1-2H3InChIKey
XQUIVIWJFLGRJN-UHFFFAOYSA-NSynonyms
2(4ethoxyphenyl)4hydroxy3(4methyl2phenyl13thiazole5carbonyl)1(5(naphthalen1ylmethylsulfanyl)134thiadiazol2yl)2Hpyrrol5one
5(4ethoxyphenyl)3hydroxy4((4methyl2phenyl13thiazol5yl)carbonyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CCOC1=CC=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
InChI=1SC36H28N4O4S3c134426181623(171926)2928(30(41)3221(2)3733(4632)24115461224)31(42)34(43)40(29)35383936(4735)452025149132210781527(22)25h4192942H320H212H3
MFCD18076014
ZINC000098048934
ZINC000098048935
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