Vitas-M small molecule compound

ethyl 3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK663396
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C)c1ccccc1)c1cccc(c1)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 C31H25ClN4O2S MW 553.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN4O2S/c1-3-38-30(37)29-34-36(25-13-9-10-23(32)20-25)31(39-29)27-15-8-7-14-26(27)28(22-18-16-21(2)17-19-22)33-35(31)24-11-5-4-6-12-24/h4-20H,3H2,1-2H3
InChIKey
WQLPHJATCSUUIA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C)C6=CC(=CC=C6)Cl
ethyl3(3chlorophenyl)2phenyl4(ptolyl)2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ethyl3(3chlorophenyl)4(4methylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(3CHLOROPHENYL)4(4METHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC31H25ClN4O2Sc133830(37)293436(251391023(32)2025)31(3929)2715871426(27)28(22181621(2)171922)3335(31)24115461224h420H3H212H3
MFCD01204209
ZINC000008407380
ZINC000008407384

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Available files

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