Vitas-M small molecule compound

methyl 4-methyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK767246
SMILES COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)c1ccccc1

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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 C24H20N4O2S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2S/c1-17-20-15-9-10-16-21(20)24(27(25-17)18-11-5-3-6-12-18)28(19-13-7-4-8-14-19)26-22(31-24)23(29)30-2/h3-16H,1-2H3
InChIKey
ZEPPXJVXEBXLCQ-UHFFFAOYSA-N
Synonyms

CC1=NN(C2(C3=CC=CC=C13)N(N=C(S2)C(=O)OC)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC24H20N4O2Sc11720159101621(20)24(27(2517)18115361218)28(19137481419)2622(3124)23(29)302h316H12H3
methyl4methyl23diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4METHYL24DIPHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03034328
ZINC000008867206
ZINC000008867207

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.