Vitas-M small molecule compound
methyl 4-{[(6-tert-butyl-2-{[(2-fluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK018066
SMILES COC(=O)c1ccc(cc1)NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccccc1F
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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 C28H29FN2O4S MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN2O4S/c1-28(2,3)17-11-14-20-22(15-17)36-26(31-24(32)19-7-5-6-8-21(19)29)23(20)25(33)30-18-12-9-16(10-13-18)27(34)35-4/h5-10,12-13,17H,11,14-15H2,1-4H3,(H,30,33)(H,31,32)InChIKey
XWTAUMQJFHCRTM-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)NC(=O)C4=CC=CC=C4F
COC(=O)c1ccc(cc1)NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccccc1F
InChI=1SC28H29FN2O4Sc128(23)1711142022(1517)3626(3124(32)19756821(19)29)23(20)25(33)301812916(101318)27(34)354h510121317H111415H214H3(H3033)(H3132)
methyl4(((6tertbutyl2(((2fluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl4((6tertbutyl2((2fluorobenzoyl)amino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03236878
STK018066
ZINC000002182443
ZINC000002182444
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