Vitas-M small molecule compound
ethyl 3'-(3-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK865564
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)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 C25H21ClN4O2S MW 476.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O2S/c1-3-32-24(31)23-28-30(20-13-9-10-18(26)16-20)25(33-23)22-15-8-7-14-21(22)17(2)27-29(25)19-11-5-4-6-12-19/h4-16H,3H2,1-2H3InChIKey
MLFJLIKFPYFOMO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C)C5=CC(=CC=C5)Cl
ethyl3(3chlorophenyl)4methyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(3CHLOROPHENYL)4METHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC25H21ClN4O2Sc133224(31)232830(201391018(26)1620)25(3323)2215871421(22)17(2)2729(25)19115461219h416H3H212H3
MFCD00748041
ZINC000004426985
ZINC000004426987
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