Vitas-M small molecule compound
4-(4-ethylphenyl)-5-({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL394284
SMILES CCc1ccc(cc1)n1c(CSc2nnc(n2CC2CCCO2)c2ccn(n2)C)nnc1S
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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 C22H26N8OS2 MW 482.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N8OS2/c1-3-15-6-8-16(9-7-15)30-19(23-25-21(30)32)14-33-22-26-24-20(18-10-11-28(2)27-18)29(22)13-17-5-4-12-31-17/h6-11,17H,3-5,12-14H2,1-2H3,(H,25,32)InChIKey
QPBBLCNVHMPUQE-UHFFFAOYSA-NSynonyms
1005703-83-21005703832
4(4ETHYLPHENYL)3((5(1METHYLPYRAZOL3YL)4(OXOLAN2YLMETHYL)124TRIAZOL3YL)SULFANYLMETHYL)1H124TRIAZOLE5THIONE
4(4ETHYLPHENYL)5(((5(1METHYL1HPYRAZOL3YL)4(TETRAHYDROFURAN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)METHYL)4H124TRIAZOLE3THIOL
CCC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NN=C(N3CC4CCCO4)C5=NN(C=C5)C
InChI=1SC22H26N8OS2c13156816(9715)3019(232521(30)32)143322262420(18101128(2)2718)29(22)131754123117h61117H351214H212H3(H2532)
MFCD04130489
ZINC000002792750
ZINC000002792751
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