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)-(5-bromo-2-methoxyphenyl)methylidene]acetohydrazide
Catalog ID
STL171313
SMILES C=CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)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 C22H21BrN8O2S MW 541.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN8O2S/c1-3-10-30-20(13-31-18-7-5-4-6-17(18)25-29-31)26-28-22(30)34-14-21(32)27-24-12-15-11-16(23)8-9-19(15)33-2/h3-9,11-12H,1,10,13-14H2,2H3,(H,27,32)/b24-12+InChIKey
CLNMECZTHOJRPR-WYMPLXKRSA-NSynonyms
741718-97-82((5(1Hbenzotriazol1ylmethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N((E)(5bromo2methoxyphenyl)methylidene)acetohydrazide
2((5(benzotriazol1ylmethyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(5bromo2methoxyphenyl)methylideneamino)acetamide
741718978
C=CCn1c(SCC(=O)NN=Cc2cc(Br)ccc2OC)nnc1Cn1nnc2c1cccc2
COC1=C(C=C(C=C1)Br)C=NNC(=O)CSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3
InChI=1SC22H21BrN8O2Sc13103020(133118754617(18)252931)262822(30)341421(32)272412151116(23)8919(15)332h391112H1101314H22H3(H2732)b2412+
MFCD01437394
ZINC000002745362
ZINC100291632
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