Vitas-M small molecule compound
ethyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK758758
SMILES CCOC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)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 C31H26N2O2S2 MW 522.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O2S2/c1-3-35-29(34)28-32-33(25-20-18-22(2)19-21-25)31(36-28)27-17-11-10-16-26(27)30(37-31,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-21H,3H2,1-2H3InChIKey
SJGUJHBRGJSPNL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C
ethyl3(4methylphenyl)33diphenyl3H3Hspiro(2benzothiophene12(134)thiadiazole)5carboxylate
ethyl33diphenyl3(ptolyl)3H3Hspiro(benzo(c)thiophene12(134)thiadiazole)5carboxylate
ETHYL4(4METHYLPHENYL)33DIPHENYLSPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2CARBOXYLATE
InChI=1SC31H26N2O2S2c133529(34)283233(25201822(2)192125)31(3628)271711101626(27)30(373123126471323)24148591524h421H3H212H3
MFCD01204186
ZINC000012412821
ZINC000012412823
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