Vitas-M small molecule compound
methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STL006349
SMILES COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)c1ccc(cc1)Br
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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 C25H21BrN4O2S MW 521.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN4O2S/c1-3-22-20-11-7-8-12-21(20)25(29(27-22)18-9-5-4-6-10-18)30(19-15-13-17(26)14-16-19)28-23(33-25)24(31)32-2/h4-16H,3H2,1-2H3InChIKey
NCWBUNYIUXBUKS-UHFFFAOYSA-NSynonyms
668439-39-2668439392
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI=1SC25H21BrN4O2Sc13222011781221(20)25(29(2722)1895461018)30(19151317(26)141619)2823(3325)24(31)322h416H3H212H3
methyl3(4bromophenyl)4ethyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4(4BROMOPHENYL)4ETHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03672131
ZINC000097951912
ZINC000097951913
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