Vitas-M small molecule compound

4-{(1E)-1-[2-({[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate

Catalog ID
STK078210
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)N/N=C(/c1ccc(cc1)OC(=O)C)\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 C26H22ClN5O3S MW 520.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5O3S/c1-17(19-8-14-23(15-9-19)35-18(2)33)28-29-24(34)16-36-26-31-30-25(20-6-4-3-5-7-20)32(26)22-12-10-21(27)11-13-22/h3-15H,16H2,1-2H3,(H,29,34)/b28-17+
InChIKey
VUFUOYQCAGDAJL-OGLMXYFKSA-N
Synonyms

(4((E)N((2((4(4CHLOROPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)CMETHYLCARBONIMIDOYL)PHENYL)ACETATE
(Z)4(1(2(2((4(4chlorophenyl)5phenyl4H124triazol3yl)thio)acetyl)hydrazono)ethyl)phenylacetate
4((1E)1(2(((4(4CHLOROPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)ETHYL)PHENYLACETATE
4((1E)2(2(4(4CHLOROPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)1METHYL2AZAVINYL)PHENYLACETATE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C
InChI=1SC26H22ClN5O3Sc117(1981423(15919)3518(2)33)282924(34)163626313025(206435720)32(26)22121021(27)111322h315H16H212H3(H2934)b2817+
MFCD02075574
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)NN=C(c1ccc(cc1)OC(=O)C)C
STK078210
ZINC000013899604
ZINC08817898
ZINC8817898

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Available files

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