Vitas-M small molecule compound
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-({5-[(phenylamino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Catalog ID
STL171376
SMILES C=CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1CNc1ccccc1
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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 C22H22N6O3S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3S/c1-2-10-28-20(13-23-17-6-4-3-5-7-17)25-27-22(28)32-14-21(29)26-24-12-16-8-9-18-19(11-16)31-15-30-18/h2-9,11-12,23H,1,10,13-15H2,(H,26,29)/b24-12+InChIKey
VRRLPPACFCNTMZ-WYMPLXKRSA-NSynonyms
570418-63-22((4ALLYL5(ANILINOMETHYL)4H124TRIAZOL3YL)SULFANYL)N(13BENZODIOXOL5YLMETHYLENE)ACETOHYDRAZIDE
2((5(anilinomethyl)4prop2enyl124triazol3yl)sulfanyl)N((E)13benzodioxol5ylmethylideneamino)acetamide
570418632
C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC3=C(C=C2)OCO3)CNC4=CC=CC=C4
C=CCn1c(SCC(=O)NN=Cc2ccc3c(c2)OCO3)nnc1CNc1ccccc1
InChI=1SC22H22N6O3Sc12102820(1323176435717)252722(28)321421(29)26241216891819(1116)31153018h29111223H1101315H2(H2629)b2412+
MFCD01614519
N((E)13benzodioxol5ylmethylidene)2((5((phenylamino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetohydrazide
ZINC000001001874
ZINC33291288
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