Vitas-M small molecule compound
methyl 3'-(4-methoxyphenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK765107
SMILES COc1ccc(cc1)N1N=C(SC21c1ccccc1C(=NN2c1ccccc1)C)C(=O)OC
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-17-21-11-7-8-12-22(21)25(28(26-17)18-9-5-4-6-10-18)29(27-23(33-25)24(30)32-3)19-13-15-20(31-2)16-14-19/h4-16H,1-3H3InChIKey
KXPKIZBINNWRPL-UHFFFAOYSA-NSynonyms
CC1=NN(C2(C3=CC=CC=C13)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI=1SC25H22N4O3Sc1172111781222(21)25(28(2617)1895461018)29(2723(3325)24(30)323)19131520(312)161419h416H13H3
methyl3(4methoxyphenyl)4methyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4(4METHOXYPHENYL)4METHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD02852966
ZINC000008873393
ZINC000008925890
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