Vitas-M small molecule compound
methyl 3'-(2-methoxyphenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK767247
SMILES COC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)C)c1ccccc1)c1ccccc1OC
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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/c1-17-19-13-7-8-14-20(19)25(28(26-17)18-11-5-4-6-12-18)29(27-23(33-25)24(30)32-3)21-15-9-10-16-22(21)31-2/h4-16H,1-3H3InChIKey
KYNQOGSAEBKIKC-UHFFFAOYSA-NSynonyms
CC1=NN(C2(C3=CC=CC=C13)N(N=C(S2)C(=O)OC)C4=CC=CC=C4OC)C5=CC=CC=C5
InChI=1SC25H22N4O3Sc1171913781420(19)25(28(2617)18115461218)29(2723(3325)24(30)323)21159101622(21)312h416H13H3
methyl3(2methoxyphenyl)4methyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4(2METHOXYPHENYL)4METHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03034330
ZINC000008867210
ZINC000009971487
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