Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide

Catalog ID
STK102130
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2)nnc1c1ccc(cc1)Cl

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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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-2-33-22-14-12-21(13-15-22)31-24(19-8-10-20(26)11-9-19)29-30-25(31)34-17-23(32)28-27-16-18-6-4-3-5-7-18/h3-16H,2,17H2,1H3,(H,28,32)/b27-16+
InChIKey
JLFBAHURWBOQPQ-JVWAILMASA-N
Synonyms
487037-97-8
(E)Nbenzylidene2((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)PHENYLMETHYLIDENE)ACETOHYDRAZIDE
487037978
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2)nnc1c1ccc(cc1)Cl
InChI=1SC25H22ClN5O2Sc123322141221(131522)3124(1981020(26)11919)293025(31)341723(32)282716186435718h316H217H21H3(H2832)b2716+
MFCD01586333
N((1E)2PHENYL1AZAVINYL)2(5(4CHLOROPHENYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)BENZYLIDENEAMINO)2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001770499
ZINC33343106

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.