Vitas-M small molecule compound
ethyl 3,3,3'-tris(4-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK537443
SMILES CCOC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccc(cc1)C)c1ccc(cc1)C)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 C33H30N2O2S2 MW 550.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O2S2/c1-5-37-31(36)30-34-35(27-20-14-24(4)15-21-27)33(38-30)29-9-7-6-8-28(29)32(39-33,25-16-10-22(2)11-17-25)26-18-12-23(3)13-19-26/h6-21H,5H2,1-4H3InChIKey
LAIAFTAXAPAYLP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C
ethyl333triptolyl3H3Hspiro(benzo(c)thiophene12(134)thiadiazole)5carboxylate
ethyl333tris(4methylphenyl)3H3Hspiro(2benzothiophene12(134)thiadiazole)5carboxylate
ETHYL334TRIS(4METHYLPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2CARBOXYLATE
InChI=1SC33H30N2O2S2c153731(36)303435(27201424(4)152127)33(3830)29976828(29)32(393325161022(2)111725)26181223(3)131926h621H5H214H3
MFCD02242373
ZINC000102420807
ZINC000102420811
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