Vitas-M small molecule compound

N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK109596
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2CC)c2ccc(cc2)Cl)ccc1OCc1ccccc1

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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 C27H26ClN5O3S MW 536.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O3S/c1-3-33-26(21-10-12-22(28)13-11-21)31-32-27(33)37-18-25(34)30-29-16-20-9-14-23(24(15-20)35-2)36-17-19-7-5-4-6-8-19/h4-16H,3,17-18H2,1-2H3,(H,30,34)/b29-16+
InChIKey
DACVYRWZBSGHQE-MUFRIFMGSA-N
Synonyms

(Z)N(4(benzyloxy)3methoxybenzylidene)2((5(4chlorophenyl)4ethyl4H124triazol3yl)thio)acetohydrazide
2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C4=CC=C(C=C4)Cl
COc1cc(C=NNC(=O)CSc2nnc(n2CC)c2ccc(cc2)Cl)ccc1OCc1ccccc1
InChI=1SC27H26ClN5O3Sc133326(21101222(28)131121)313227(33)371825(34)3029162091423(24(1520)352)3617197546819h416H31718H212H3(H3034)b2916+
MFCD03218806
N((1E)2(3METHOXY4(PHENYLMETHOXY)PHENYL)1AZAVINYL)2(5(4CHLOROPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4(BENZYLOXY)3METHOXYPHENYL)METHYLIDENE)2((5(4CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
ZINC000001836176
ZINC100839401

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Available files

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