Vitas-M small molecule compound
N-(2-bromo-4,6-difluorophenyl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK138897
SMILES C=CCn1c(SCC(=O)Nc2c(F)cc(cc2Br)F)nnc1c1oc2c(c1)cccc2OC
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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 C22H17BrF2N4O3S MW 535.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrF2N4O3S/c1-3-7-29-21(17-8-12-5-4-6-16(31-2)20(12)32-17)27-28-22(29)33-11-18(30)26-19-14(23)9-13(24)10-15(19)25/h3-6,8-10H,1,7,11H2,2H3,(H,26,30)InChIKey
OLOQWJHQVLWKGO-UHFFFAOYSA-NSynonyms
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)NC4=C(C=C(C=C4Br)F)F
InChI=1SC22H17BrF2N4O3Sc1372921(1781254616(312)20(12)3217)272822(29)331118(30)261914(23)913(24)1015(19)25h36810H1711H22H3(H2630)
MFCD04378091
N(2BROMO46DIFLUOROPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2BROMO46DIFLUOROPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001123509
ZINC1123509
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