Vitas-M small molecule compound

4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)propyl]phenolate

Catalog ID
STK568170
SMILES CC/C(=N\NC(=O)c1nnn(c1CSc1ccc(cc1)Cl)c1nonc1[NH3+])/c1ccc(cc1)[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 C21H19ClN8O3S MW 498.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN8O3S/c1-2-16(12-3-7-14(31)8-4-12)24-26-21(32)18-17(11-34-15-9-5-13(22)6-10-15)30(29-25-18)20-19(23)27-33-28-20/h3-10,31H,2,11H2,1H3,(H2,23,27)(H,26,32)/b24-16+
InChIKey
YFBSQNWDTIPNKM-LFVJCYFKSA-N
Synonyms
862185-72-6
4((1E)1(2((1(4ammonio125oxadiazol3yl)5(((4chlorophenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)propyl)phenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5((4chlorophenyl)sulfanylmethyl)triazole4carbonyl)amino)Cethylcarbonimidoyl)phenolate
862185726
CCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2(NH3+))CSC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)(O)
CCC(=NNC(=O)c1nnn(c1CSc1ccc(cc1)Cl)c1nonc1(NH3+))c1ccc(cc1)(O)
InChI=1SC21H19ClN8O3Sc1216(123714(31)8412)242621(32)1817(1134159513(22)61015)30(292518)2019(23)27332820h31031H211H21H3(H22327)(H2632)b2416+
MFCD05687960
ZINC000009350176

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Available files

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