Vitas-M small molecule compound

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

Catalog ID
STK733606
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)c1cccc(c1)[N+](=O)[O-]

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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 C25H21N5O4S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O4S/c1-3-34-24(31)23-27-29(19-12-9-13-20(16-19)30(32)33)25(35-23)22-15-8-7-14-21(22)17(2)26-28(25)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3
InChIKey
IYQXIDMUFBFCBY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C)C5=CC(=CC=C5)(N+)(=O)(O)
ethyl4methyl3(3nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4METHYL4(3NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC25H21N5O4Sc133424(31)232729(191291320(1619)30(32)33)25(3523)2215871421(22)17(2)2628(25)18105461118h416H3H212H3
MFCD00825359
ZINC000009007930
ZINC000009007931

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Available files

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