Vitas-M small molecule compound
N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK136730
SMILES C=CCn1c(SCC(=O)Nc2c(F)cc(cc2Br)F)nnc1c1ccc(cc1)OC
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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 C20H17BrF2N4O2S MW 495.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrF2N4O2S/c1-3-8-27-19(12-4-6-14(29-2)7-5-12)25-26-20(27)30-11-17(28)24-18-15(21)9-13(22)10-16(18)23/h3-7,9-10H,1,8,11H2,2H3,(H,24,28)InChIKey
HOPMYPDAXGCCPX-UHFFFAOYSA-NSynonyms
702646-77-32((4ALLYL5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(2BROMO46DIFLUOROPHENYL)ACETAMIDE
2((4allyl5(4methoxyphenyl)4H124triazol3yl)thio)N(2bromo46difluorophenyl)acetamide
702646773
COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F
InChI=1SC20H17BrF2N4O2Sc1382719(124614(292)7512)252620(27)301117(28)241815(21)913(22)1016(18)23h37910H1811H22H3(H2428)
MFCD04342910
N(2BROMO46DIFLUOROPHENYL)2((5(4METHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2BROMO46DIFLUOROPHENYL)2((5(4METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2BROMO46DIFLUOROPHENYL)2(5(4METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000000633838
ZINC00633838
ZINC633838
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.