Vitas-M small molecule compound

N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STL071055
SMILES COc1c(OC)cc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/c1c(F)cccc1Cl

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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 C26H23ClFN5O4S MW 556.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClFN5O4S/c1-35-21-12-16(13-22(36-2)24(21)37-3)25-31-32-26(33(25)17-8-5-4-6-9-17)38-15-23(34)30-29-14-18-19(27)10-7-11-20(18)28/h4-14H,15H2,1-3H3,(H,30,34)/b29-14+
InChIKey
GHGDMXMYWLJACL-IPPBACCNSA-N
Synonyms

(E)N(2chloro6fluorobenzylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=CC=C4Cl)F
COc1c(OC)cc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=Cc1c(F)cccc1Cl
InChI=1SC26H23ClFN5O4Sc135211216(1322(362)24(21)373)25313226(33(25)178546917)381523(34)3029141819(27)1071120(18)28h414H15H213H3(H3034)b2914+
MFCD02075143
N((1E)2(2CHLORO6FLUOROPHENYL)1AZAVINYL)2(4PHENYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(2chloro6fluorophenyl)methylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(2CHLORO6FLUOROPHENYL)METHYLIDENEAMINO)2((4PHENYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001826152
ZINC102965028

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Available files

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