Vitas-M small molecule compound
(2E)-2-{[3-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene}-6-methoxy-3,4-dihydronaphthalen-1(2H)-one
Catalog ID
STK455000
SMILES COc1ccc2c(c1)CC/C(=C\c1c[nH]nc1c1ccc(cc1)Br)/C2=O
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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 C21H17BrN2O2 MW 409.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O2/c1-26-18-8-9-19-14(11-18)2-3-15(21(19)25)10-16-12-23-24-20(16)13-4-6-17(22)7-5-13/h4-12H,2-3H2,1H3,(H,23,24)/b15-10+InChIKey
SAIXRIDUNMHUQC-XNTDXEJSSA-NSynonyms
(2E)2((3(4bromophenyl)1Hpyrazol4yl)methylidene)6methoxy34dihydronaphthalen1(2H)one
(2E)2((5(4bromophenyl)1Hpyrazol4yl)methylidene)6methoxy34dihydronaphthalen1one
2((3(4BROMOPHENYL)PYRAZOL4YL)METHYLENE)6METHOXY34DIHYDRONAPHTHALEN1ONE
COC1=CC2=C(C=C1)C(=O)C(=CC3=C(NN=C3)C4=CC=C(C=C4)Br)CC2
COc1ccc2c(c1)CCC(=Cc1c(nH)nc1c1ccc(cc1)Br)C2=O
InChI=1SC21H17BrN2O2c12618891914(1118)2315(21(19)25)101612232420(16)134617(22)7513h412H23H21H3(H2324)b1510+
MFCD04228326
ZINC000017088168
ZINC17088168
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