Vitas-M small molecule compound
2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide
Catalog ID
STL054516
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1N)SCC(=O)Nc1c(Br)cc(cc1Br)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 C20H21Br2N5O4S MW 587.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Br2N5O4S/c1-10-5-12(21)17(13(22)6-10)24-16(28)9-32-20-26-25-19(27(20)23)11-7-14(29-2)18(31-4)15(8-11)30-3/h5-8H,9,23H2,1-4H3,(H,24,28)InChIKey
YADPXGMTFGLTMF-UHFFFAOYSA-NSynonyms
2((4AMINO5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(26DIBROMO4METHYLPHENYL)ACETAMIDE
2((4amino5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)N(26dibromo4methylphenyl)acetamide
2((4amino5(345trimethoxyphenyl)4H124triazol3yl)thio)N(26dibromo4methylphenyl)acetamide
2(4AMINO5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))N(26DIBROMO4METHYLPHENYL)ACETAMIDE
CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC)Br
InChI=1SC20H21Br2N5O4Sc110512(21)17(13(22)610)2416(28)93220262519(27(20)23)11714(292)18(314)15(811)303h58H923H214H3(H2428)
MFCD04031647
ZINC000097939516
ZINC97939516
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