Vitas-M small molecule compound
N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-fluorobenzamide
Catalog ID
STK724156
SMILES Cc1cc(cc(c1CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1F)C)C(C)(C)C
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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 C27H27FN2OS2 MW 478.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2OS2/c1-16-12-18(27(3,4)5)13-17(2)21(16)15-32-26-30-23-11-10-19(14-24(23)33-26)29-25(31)20-8-6-7-9-22(20)28/h6-14H,15H2,1-5H3,(H,29,31)InChIKey
SORUCWUFQYOWMX-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F)C)C(C)(C)C
InChI=1SC27H27FN2OS2c1161218(27(34)5)1317(2)21(16)1532263023111019(1424(23)3326)2925(31)20867922(20)28h614H15H215H3(H2931)
MFCD01580645
N(2((4tertbutyl26dimethylbenzyl)sulfanyl)13benzothiazol6yl)2fluorobenzamide
N(2((4TERTBUTYL26DIMETHYLPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)2FLUOROBENZAMIDE
ZINC000002186145
ZINC02186145
ZINC2186145
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