Vitas-M small molecule compound
N-[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(5-{(2Z)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL168495
SMILES C=CCSc1nc2c(s1)cc(cc2)NC(=O)CSc1nnc([nH]1)N/N=C(\c1ccccn1)/C
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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 C21H20N8OS3 MW 496.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8OS3/c1-3-10-31-21-24-16-8-7-14(11-17(16)33-21)23-18(30)12-32-20-25-19(28-29-20)27-26-13(2)15-6-4-5-9-22-15/h3-9,11H,1,10,12H2,2H3,(H,23,30)(H2,25,27,28,29)/b26-13-InChIKey
YYZALGAZBPJQPD-ZMFRSBBQSA-NSynonyms
C=CCSc1nc2c(s1)cc(cc2)NC(=O)CSc1nnc((nH)1)NN=C(c1ccccn1)C
CC(=NNC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC=C)C4=CC=CC=N4
InChI=1SC21H20N8OS3c1310312124168714(1117(16)3321)2318(30)1232202519(282920)272613(2)1564592215h3911H11012H22H3(H2330)(H225272829)b2613
MFCD03607136
N(2(prop2en1ylsulfanyl)13benzothiazol6yl)2((5((2Z)2(1(pyridin2yl)ethylidene)hydrazinyl)4H124triazol3yl)sulfanyl)acetamide
N(2prop2enylsulfanyl13benzothiazol6yl)2((5((2Z)2(1pyridin2ylethylidene)hydrazinyl)1H124triazol3yl)sulfanyl)acetamide
ZINC000035669754
ZINC35669752
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