Vitas-M small molecule compound

2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide

Catalog ID
STK037559
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NNC(=S)Nc1ccccc1

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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 C24H22N6O2S2 MW 490.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O2S2/c1-32-20-14-12-17(13-15-20)22-27-29-24(30(22)19-10-6-3-7-11-19)34-16-21(31)26-28-23(33)25-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,26,31)(H2,25,28,33)
InChIKey
QEMZCGGPPXVBRJ-UHFFFAOYSA-N
Synonyms
402512-63-4
1((2((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)3PHENYLTHIOUREA
2(((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)NPHENYLHYDRAZINECARBOTHIOAMIDE
2(2((5(4methoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)Nphenylhydrazinecarbothioamide
2(5(4METHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))N(((PHENYLAMINO)THIOXOMETHYL)AMINO)ACETAMIDE
402512634
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC(=S)NC4=CC=CC=C4
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NNC(=S)Nc1ccccc1
InChI=1SC24H22N6O2S2c13220141217(131520)22272924(30(22)19106371119)341621(31)262823(33)25188425918h215H16H21H3(H2631)(H2252833)
MFCD02024382
STK037559
ZINC000002248514
ZINC02248514
ZINC2248514

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.