Vitas-M small molecule compound
ethyl 3'-(4-chlorophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STL001707
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)c1ccc(cc1)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/c1-3-23-21-12-8-9-13-22(21)26(30(28-23)19-10-6-5-7-11-19)31(20-16-14-18(27)15-17-20)29-24(34-26)25(32)33-4-2/h5-17H,3-4H2,1-2H3InChIKey
VLXYZDGZBKFVCV-UHFFFAOYSA-NSynonyms
668439-50-7668439507
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OCC)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
ethyl3(4chlorophenyl)4ethyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4CHLOROPHENYL)4ETHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC26H23ClN4O2Sc13232112891322(21)26(30(2823)19106571119)31(20161418(27)151720)2924(3426)25(32)3342h517H34H212H3
MFCD03669899
ZINC000009075277
ZINC000009075278
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