Vitas-M small molecule compound
methyl 4-ethyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK999873
SMILES COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)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/c1-3-22-20-11-7-8-12-21(20)25(28(26-22)17-9-5-4-6-10-17)29(27-23(35-25)24(31)34-2)18-13-15-19(16-14-18)30(32)33/h4-16H,3H2,1-2H3InChIKey
FZNTWCIDJRWCSF-UHFFFAOYSA-NSynonyms
668439-41-6668439416
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H21N5O4Sc13222011781221(20)25(28(2622)1795461017)29(2723(3525)24(31)342)18131519(161418)30(32)33h416H3H212H3
methyl4ethyl3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4ETHYL4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03671193
ZINC000009013234
ZINC000013658778
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