Vitas-M small molecule compound
2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dibromo-4-methylphenyl)acetamide
Catalog ID
STK568127
SMILES C=CCn1c(SCC(=O)Nc2c(Br)cc(cc2Br)C)nnc1COc1ccc(cc1)Cl
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19Br2ClN4O2S MW 586.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Br2ClN4O2S/c1-3-8-28-18(11-30-15-6-4-14(24)5-7-15)26-27-21(28)31-12-19(29)25-20-16(22)9-13(2)10-17(20)23/h3-7,9-10H,1,8,11-12H2,2H3,(H,25,29)InChIKey
RBLUYGBBDZNAGN-UHFFFAOYSA-NSynonyms
2((4allyl5((4chlorophenoxy)methyl)4H124triazol3yl)thio)N(26dibromo4methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(26dibromo4methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)N(26dibromo4methylphenyl)acetamide
2((5(4CHLOROPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(26DIBROMO4METHYLPHENYL)ACETAMIDE
CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl)Br
InChI=1SC21H19Br2ClN4O2Sc1382818(1130156414(24)5715)262721(28)311219(29)252016(22)913(2)1017(20)23h37910H181112H22H3(H2529)
MFCD07197549
N(26DIBROMO4METHYLPHENYL)2(5((4CHLOROPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000097958390
ZINC97958390
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