Vitas-M small molecule compound
2-{[5-(1H-benzotriazol-1-ylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-chlorophenyl)methylidene]acetohydrazide
Catalog ID
STL171398
SMILES C=CCn1c(SCC(=O)N/N=C/c2cccc(c2)Cl)nnc1Cn1nnc2c1cccc2
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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 C21H19ClN8OS MW 466.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN8OS/c1-2-10-29-19(13-30-18-9-4-3-8-17(18)24-28-30)25-27-21(29)32-14-20(31)26-23-12-15-6-5-7-16(22)11-15/h2-9,11-12H,1,10,13-14H2,(H,26,31)/b23-12+InChIKey
PANRQFBTYDRLLI-FSJBWODESA-NSynonyms
570418-24-52((5(1Hbenzotriazol1ylmethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N((E)(3chlorophenyl)methylidene)acetohydrazide
2((5(benzotriazol1ylmethyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(3chlorophenyl)methylideneamino)acetamide
570418245
C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4N=N3
C=CCn1c(SCC(=O)NN=Cc2cccc(c2)Cl)nnc1Cn1nnc2c1cccc2
InChI=1SC21H19ClN8OSc12102919(133018943817(18)242830)252721(29)321420(31)2623121565716(22)1115h291112H1101314H2(H2631)b2312+
MFCD01437042
ZINC000002742873
ZINC33781428
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