Vitas-M small molecule compound
N-(2,6-dibromo-4-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL052213
SMILES O=C(Nc1c(Br)cc(cc1Br)C)CSc1nnc(n1Cc1ccco1)c1cccnc1
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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 C21H17Br2N5O2S MW 563.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2N5O2S/c1-13-8-16(22)19(17(23)9-13)25-18(29)12-31-21-27-26-20(14-4-2-6-24-10-14)28(21)11-15-5-3-7-30-15/h2-10H,11-12H2,1H3,(H,25,29)InChIKey
KBUBNKMJLQHJPK-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4)Br
InChI=1SC21H17Br2N5O2Sc113816(22)19(17(23)913)2518(29)123121272620(14426241014)28(21)11155373015h210H1112H21H3(H2529)
MFCD04025929
N(26dibromo4methylphenyl)2((4(furan2ylmethyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(26dibromo4methylphenyl)2((4(furan2ylmethyl)5(pyridin3yl)4H124triazol3yl)thio)acetamide
N(26DIBROMO4METHYLPHENYL)2((4(FURAN2YLMETHYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(26DIBROMO4METHYLPHENYL)2(4(2FURYLMETHYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001275146
ZINC01275146
ZINC1275146
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