Vitas-M small molecule compound
ethyl 4-(2,5-dimethylphenyl)-3'-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK674662
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1cc(C)ccc1C)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 C33H30N4O2S MW 546.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O2S/c1-5-39-32(38)31-35-37(26-19-16-22(2)17-20-26)33(40-31)29-14-10-9-13-27(29)30(28-21-23(3)15-18-24(28)4)34-36(33)25-11-7-6-8-12-25/h6-21H,5H2,1-4H3InChIKey
CFEUPBDKDNMICV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=C(C=CC(=C5)C)C)C6=CC=C(C=C6)C
ethyl4(25dimethylphenyl)3(4methylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(25DIMETHYLPHENYL)4(4METHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC33H30N4O2Sc153932(38)313537(26191622(2)172026)33(4031)29141091327(29)30(282123(3)151824(28)4)3436(33)25117681225h621H5H214H3
MFCD01465226
ZINC000008424493
ZINC000008424495
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