Vitas-M small molecule compound
ethyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK865563
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)c1ccc(cc1)[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(19-13-15-20(16-14-19)30(32)33)25(35-23)22-12-8-7-11-21(22)17(2)26-28(25)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3InChIKey
FXDNQQOMWMAKBR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C)C5=CC=C(C=C5)(N+)(=O)(O)
ethyl4methyl3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4METHYL4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC25H21N5O4Sc133424(31)232729(19131520(161419)30(32)33)25(3523)2212871121(22)17(2)2628(25)1895461018h416H3H212H3
MFCD01439203
ZINC000009347653
ZINC000012436988
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