Vitas-M small molecule compound

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

Catalog ID
STK555994
SMILES O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc2c(c1)OCO2

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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 C19H16ClN5O3S MW 429.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN5O3S/c1-25-18(13-3-2-4-14(20)8-13)23-24-19(25)29-10-17(26)22-21-9-12-5-6-15-16(7-12)28-11-27-15/h2-9H,10-11H2,1H3,(H,22,26)/b21-9+
InChIKey
SELNGAUWLOMBRM-ZVBGSRNCSA-N
Synonyms
348591-05-9
(E)N(benzo(d)(13)dioxol5ylmethylene)2((5(3chlorophenyl)4methyl4H124triazol3yl)thio)acetohydrazide
348591059
CN1C(=NN=C1SCC(=O)NN=CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl
InChI=1SC19H16ClN5O3Sc12518(1332414(20)813)232419(25)291017(26)2221912561516(712)28112715h29H1011H21H3(H2226)b219+
MFCD02611232
N((E)13benzodioxol5ylmethylidene)2((5(3chlorophenyl)4methyl4H124triazol3yl)sulfanyl)acetohydrazide
N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)2((5(3CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1C)c1cccc(c1)Cl)NN=Cc1ccc2c(c1)OCO2
ZINC000002422280
ZINC33367991

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Available files

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