Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK232439
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2F)Br)nnc1COc1ccccc1C
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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 C21H20BrFN4O2S MW 491.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrFN4O2S/c1-3-10-27-19(12-29-18-7-5-4-6-14(18)2)25-26-21(27)30-13-20(28)24-17-9-8-15(22)11-16(17)23/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)InChIKey
PDURESJIHMSLFL-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3)Br)F
InChI=1SC21H20BrFN4O2Sc13102719(122918754614(18)2)252621(27)301320(28)24179815(22)1116(17)23h3911H1101213H22H3(H2428)
MFCD04402324
N(4BROMO2FLUOROPHENYL)2((5((2METHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2FLUOROPHENYL)2((5((2METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001065960
ZINC01065960
ZINC1065960
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