Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(2-chloro-6-fluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK427208
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1c(F)cccc1Cl
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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 C21H23ClFNO3S MW 423.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClFNO3S/c1-21(2,3)11-8-9-12-15(10-11)28-19(16(12)20(26)27-4)24-18(25)17-13(22)6-5-7-14(17)23/h5-7,11H,8-10H2,1-4H3,(H,24,25)InChIKey
NTAXMXXAWKYCMK-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=CC=C3Cl)F
InChI=1SC21H23ClFNO3Sc121(23)11891215(1011)2819(16(12)20(26)274)2418(25)1713(22)65714(17)23h5711H810H214H3(H2425)
methyl6tertbutyl2(((2chloro6fluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2chloro6fluorobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02612205
ZINC000002777240
ZINC000002777241
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