Vitas-M small molecule compound
ethyl 3'-(4-bromophenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK674180
SMILES CCOC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)Br
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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 C30H23BrN2O2S2 MW 587.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O2S2/c1-2-35-28(34)27-32-33(24-19-17-23(31)18-20-24)30(36-27)26-16-10-9-15-25(26)29(37-30,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20H,2H2,1H3InChIKey
KZNPBAQEEUSTBT-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)Br
ETHYL3(4BROMOPHENYL)33DIPHENYL3H3HSPIRO(2BENZOTHIOPHENE12(134)THIADIAZOLE)5CARBOXYLATE
ethyl3(4bromophenyl)33diphenyl3H3Hspiro(benzo(c)thiophene12(134)thiadiazole)5carboxylate
ETHYL4(4BROMOPHENYL)33DIPHENYLSPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2CARBOXYLATE
InChI=1SC30H23BrN2O2S2c123528(34)273233(24191723(31)182024)30(3627)26161091525(26)29(373021115361221)22137481422h320H2H21H3
MFCD01204188
ZINC000008443355
ZINC000008443356
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