Vitas-M small molecule compound
ethyl 3'-(3-chlorophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STL000093
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)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 C26H23ClN4O2S MW 491.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O2S/c1-3-23-21-15-8-9-16-22(21)26(30(28-23)19-12-6-5-7-13-19)31(20-14-10-11-18(27)17-20)29-24(34-26)25(32)33-4-2/h5-17H,3-4H2,1-2H3InChIKey
JYHYKIMDUKQAET-UHFFFAOYSA-NSynonyms
668439-49-4668439494
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
ethyl3(3chlorophenyl)4ethyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(3CHLOROPHENYL)4ETHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC26H23ClN4O2Sc13232115891622(21)26(30(2823)19126571319)31(2014101118(27)1720)2924(3426)25(32)3342h517H34H212H3
MFCD03671508
ZINC000009075525
ZINC000009075526
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