Vitas-M small molecule compound
ethyl 3'-(3-chlorophenyl)-4-(4-ethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK663381
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)CC)c1ccccc1)c1cccc(c1)Cl
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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 C32H27ClN4O2S MW 567.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN4O2S/c1-3-22-17-19-23(20-18-22)29-27-15-8-9-16-28(27)32(36(34-29)25-12-6-5-7-13-25)37(26-14-10-11-24(33)21-26)35-30(40-32)31(38)39-4-2/h5-21H,3-4H2,1-2H3InChIKey
MJMDYXQTGZHMKD-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)OCC)C5=CC(=CC=C5)Cl)C6=CC=CC=C6
ethyl3(3chlorophenyl)4(4ethylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(3CHLOROPHENYL)4(4ETHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC32H27ClN4O2Sc1322171923(201822)292715891628(27)32(36(3429)25126571325)37(2614101124(33)2126)3530(4032)31(38)3942h521H34H212H3
MFCD00754974
ZINC000098000188
ZINC000098000189
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