Vitas-M small molecule compound
(3Z)-1-(4-bromophenyl)-4,4,4-trifluoro-3-{2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}butan-1-one
Catalog ID
STL446507
SMILES COc1ccc(cc1)c1csc(n1)N/N=C(\C(F)(F)F)/CC(=O)c1ccc(cc1)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 C20H15BrF3N3O2S MW 498.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrF3N3O2S/c1-29-15-8-4-12(5-9-15)16-11-30-19(25-16)27-26-18(20(22,23)24)10-17(28)13-2-6-14(21)7-3-13/h2-9,11H,10H2,1H3,(H,25,27)/b26-18-InChIKey
MMPTWBDMGGAYTQ-ITYLOYPMSA-NSynonyms
(3Z)1(4BROMOPHENYL)444TRIFLUORO3((4(4METHOXYPHENYL)13THIAZOL2YL)HYDRAZINYLIDENE)BUTAN1ONE
(3Z)1(4bromophenyl)444trifluoro3(2(4(4methoxyphenyl)13thiazol2yl)hydrazinylidene)butan1one
COC1=CC=C(C=C1)C2=CSC(=N2)NN=C(CC(=O)C3=CC=C(C=C3)Br)C(F)(F)F
COc1ccc(cc1)c1csc(n1)NN=C(C(F)(F)F)CC(=O)c1ccc(cc1)Br
InChI=1SC20H15BrF3N3O2Sc129158412(5915)16113019(2516)272618(20(2223)24)1017(28)132614(21)7313h2911H10H21H3(H2527)b2618
MFCD06241221
ZINC000008694812
ZINC101389762
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