Vitas-M small molecule compound
N-{[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Catalog ID
STK115689
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1F)Br
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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 C20H19BrFN5O3S MW 508.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrFN5O3S/c1-27-17(10-23-19(29)12-3-6-14(30-2)7-4-12)25-26-20(27)31-11-18(28)24-16-8-5-13(21)9-15(16)22/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
KQDYHBBFPLSCKW-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC20H19BrFN5O3Sc12717(102319(29)123614(302)7412)252620(27)311118(28)24168513(21)915(16)22h39H1011H212H3(H2329)(H2428)
MFCD04128417
N((5((2((4BROMO2FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(4BROMO2FLUOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000002841713
ZINC02841713
ZINC2841713
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