Vitas-M small molecule compound
3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-5-phenylcyclohex-2-en-1-one
Catalog ID
STK071287
SMILES O=C1C=C(Nc2ccc(cc2)c2nc3c(s2)cc(cc3)C)CC(C1)c1ccccc1
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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 C26H22N2OS MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2OS/c1-17-7-12-24-25(13-17)30-26(28-24)19-8-10-21(11-9-19)27-22-14-20(15-23(29)16-22)18-5-3-2-4-6-18/h2-13,16,20,27H,14-15H2,1H3InChIKey
CSIUBUVBSXZAEG-UHFFFAOYSA-NSynonyms
3((4(6METHYL13BENZOTHIAZOL2YL)PHENYL)AMINO)5PHENYLCYCLOHEX2EN1ONE
3((4(6METHYLBENZOTHIAZOL2YL)PHENYL)AMINO)5PHENYLCYCLOHEX2EN1ONE
3(4(6METHYL13BENZOTHIAZOL2YL)ANILINO)5PHENYLCYCLOHEX2EN1ONE
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=CC(=O)CC(C4)C5=CC=CC=C5
InChI=1SC26H22N2OSc1177122425(1317)3026(2824)1981021(11919)27221420(1523(29)1622)185324618h213162027H1415H21H3
MFCD03194858
O=C1C=C(Nc2ccc(cc2)c2nc3c(s2)cc(cc3)C)CC(C1)c1ccccc1
STK071287
ZINC000005244499
ZINC000005244503
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