Vitas-M small molecule compound
(4E)-4-{[(4-methylphenyl)amino]methylidene}-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK167117
SMILES Cc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccccc1)CSc1nnnn1c1ccccc1
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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 C25H21N7OS MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N7OS/c1-18-12-14-19(15-13-18)26-16-22-23(28-31(24(22)33)20-8-4-2-5-9-20)17-34-25-27-29-30-32(25)21-10-6-3-7-11-21/h2-16,26H,17H2,1H3/b22-16+InChIKey
MUQWVZMKBMCDNX-CJLVFECKSA-NSynonyms
(4E)4(((4METHYLPHENYL)AMINO)METHYLIDENE)2PHENYL5(((1PHENYL1HTETRAZOL5YL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)4((4METHYLANILINO)METHYLIDENE)2PHENYL5((1PHENYLTETRAZOL5YL)SULFANYLMETHYL)PYRAZOL3ONE
(E)1phenyl3(((1phenyl1Htetrazol5yl)thio)methyl)4((ptolylamino)methylene)1Hpyrazol5(4H)one
CC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=NN=NN4C5=CC=CC=C5
Cc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccccc1)CSc1nnnn1c1ccccc1
InChI=1SC25H21N7OSc118121419(151318)26162223(2831(24(22)33)208425920)17342527293032(25)21106371121h21626H17H21H3b2216+
MFCD04161423
ZINC000018266452
ZINC18266452
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