Vitas-M small molecule compound
2-{[4-amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide
Catalog ID
STL049314
SMILES O=C(Nc1c(Br)cc(cc1Br)C)CSc1nnc(n1N)c1ccc(cc1)C(C)(C)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 C21H23Br2N5OS MW 553.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Br2N5OS/c1-12-9-15(22)18(16(23)10-12)25-17(29)11-30-20-27-26-19(28(20)24)13-5-7-14(8-6-13)21(2,3)4/h5-10H,11,24H2,1-4H3,(H,25,29)InChIKey
QHFKDJLQYXSRHT-UHFFFAOYSA-NSynonyms
2((4amino5(4(tertbutyl)phenyl)4H124triazol3yl)thio)N(26dibromo4methylphenyl)acetamide
2((4AMINO5(4TERTBUTYLPHENYL)124TRIAZOL3YL)SULFANYL)N(26DIBROMO4METHYLPHENYL)ACETAMIDE
2((4amino5(4tertbutylphenyl)4H124triazol3yl)sulfanyl)N(26dibromo4methylphenyl)acetamide
2(4AMINO5(4(TERTBUTYL)PHENYL)(124TRIAZOL3YLTHIO))N(26DIBROMO4METHYLPHENYL)ACETAMIDE
CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)Br
InChI=1SC21H23Br2N5OSc112915(22)18(16(23)1012)2517(29)113020272619(28(20)24)135714(8613)21(23)4h510H1124H214H3(H2529)
MFCD04020905
ZINC000002604247
ZINC2604247
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