Vitas-M small molecule compound
ethyl 3'-(4-methylphenyl)-2,4-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK865569
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(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 C31H26N4O2S MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O2S/c1-3-37-30(36)29-33-35(25-20-18-22(2)19-21-25)31(38-29)27-17-11-10-16-26(27)28(23-12-6-4-7-13-23)32-34(31)24-14-8-5-9-15-24/h4-21H,3H2,1-2H3InChIKey
VJMZJXAOFXMNPJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C
ethyl24diphenyl3(ptolyl)2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ethyl3(4methylphenyl)24diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4METHYLPHENYL)24DIPHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC31H26N4O2Sc133730(36)293335(25201822(2)192125)31(3829)271711101626(27)28(23126471323)3234(31)24148591524h421H3H212H3
MFCD01204204
ZINC000008443366
ZINC000008443367
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