Vitas-M small molecule compound

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

Catalog ID
STK997182
SMILES COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c1-3-22-20-16-10-11-17-21(20)25(28(26-22)18-12-6-4-7-13-18)29(19-14-8-5-9-15-19)27-23(32-25)24(30)31-2/h4-17H,3H2,1-2H3
InChIKey
SUVCFNMHHDLBDH-UHFFFAOYSA-N
Synonyms
668439-30-3
668439303
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OC)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC25H22N4O2Sc1322201610111721(20)25(28(2622)18126471318)29(19148591519)2723(3225)24(30)312h417H3H212H3
methyl4ethyl23diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4ETHYL24DIPHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03672289
ZINC000009087204
ZINC000013659280

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Available files

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