Vitas-M small molecule compound
5-(4-fluorophenyl)-3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}cyclohex-2-en-1-one
Catalog ID
STL444550
SMILES O=C1C=C(Nc2ccc(cc2)c2nc3c(s2)cc(cc3)C)CC(C1)c1ccc(cc1)F
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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 C26H21FN2OS MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2OS/c1-16-2-11-24-25(12-16)31-26(29-24)18-5-9-21(10-6-18)28-22-13-19(14-23(30)15-22)17-3-7-20(27)8-4-17/h2-12,15,19,28H,13-14H2,1H3InChIKey
NIASTRMTIFLBEB-UHFFFAOYSA-NSynonyms
5(4fluorophenyl)3((4(6methyl13benzothiazol2yl)phenyl)amino)cyclohex2en1one
5(4FLUOROPHENYL)3(4(6METHYL13BENZOTHIAZOL2YL)ANILINO)CYCLOHEX2EN1ONE
5(4FLUOROPHENYL)3(4(6METHYLBENZO(D)THIAZOL2YL)PHENYLAMINO)CYCLOHEX2ENONE
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=CC(=O)CC(C4)C5=CC=C(C=C5)F
InChI=1SC26H21FN2OSc1162112425(1216)3126(2924)185921(10618)28221319(1423(30)1522)173720(27)8417h212151928H1314H21H3
MFCD04222060
ZINC000008756796
ZINC000008756800
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