Vitas-M small molecule compound
N-{1-[1-(4-tert-butyl-2,6-dimethylbenzyl)-1H-benzimidazol-2-yl]-3-(methylsulfanyl)propyl}-4-fluorobenzamide
Catalog ID
STK547546
SMILES CSCCC(c1nc2c(n1Cc1c(C)cc(cc1C)C(C)(C)C)cccc2)NC(=O)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 C31H36FN3OS MW 517.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36FN3OS/c1-20-17-23(31(3,4)5)18-21(2)25(20)19-35-28-10-8-7-9-26(28)33-29(35)27(15-16-37-6)34-30(36)22-11-13-24(32)14-12-22/h7-14,17-18,27H,15-16,19H2,1-6H3,(H,34,36)InChIKey
IHQDRSTYEFPWFN-UHFFFAOYSA-NSynonyms
750615-00-0750615000
CC1=CC(=CC(=C1CN2C3=CC=CC=C3N=C2C(CCSC)NC(=O)C4=CC=C(C=C4)F)C)C(C)(C)C
InChI=1SC31H36FN3OSc1201723(31(34)5)1821(2)25(20)1935281087926(28)3329(35)27(1516376)3430(36)22111324(32)141222h714171827H151619H216H3(H3436)
MFCD03655420
N(1(1((4TERTBUTYL26DIMETHYLPHENYL)METHYL)BENZIMIDAZOL2YL)3METHYLSULFANYLPROPYL)4FLUOROBENZAMIDE
N(1(1(4(tertbutyl)26dimethylbenzyl)1Hbenzo(d)imidazol2yl)3(methylthio)propyl)4fluorobenzamide
N(1(1(4tertbutyl26dimethylbenzyl)1Hbenzimidazol2yl)3(methylsulfanyl)propyl)4fluorobenzamide
ZINC000009374535
ZINC000009374940
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