Vitas-M small molecule compound
1-[4-ethyl-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK998211
SMILES CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1cccc(c1)[N+](=O)[O-])C(=O)C
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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 C25H21N5O3S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O3S/c1-3-23-21-14-7-8-15-22(21)25(28(26-23)18-10-5-4-6-11-18)29(27-24(34-25)17(2)31)19-12-9-13-20(16-19)30(32)33/h4-16H,3H2,1-2H3InChIKey
ZESFWAGXSZEGDL-UHFFFAOYSA-NSynonyms
668439-28-91(4ethyl3(3nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)ethanone
1(4ETHYL4(3NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
668439289
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)C)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5
CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1cccc(c1)(N+)(=O)(O))C(=O)C
InChI=1SC25H21N5O3Sc13232114781522(21)25(28(2623)18105461118)29(2724(3425)17(2)31)191291320(1619)30(32)33h416H3H212H3
MFCD03669342
ZINC000009012909
ZINC000009428224
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