Vitas-M small molecule compound
methyl 2-{[(4-tert-butylphenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK418757
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c1CCC(C2)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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-13-6-11-16-17(12-13)27-20(18(16)21(25)26-5)23-19(24)14-7-9-15(10-8-14)22(2,3)4/h7-10,13H,6,11-12H2,1-5H3,(H,23,24)InChIKey
GLIJSWFQVFZFEG-UHFFFAOYSA-NSynonyms
300676-21-5300676215
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC22H27NO3Sc1136111617(1213)2720(18(16)21(25)265)2319(24)147915(10814)22(23)4h71013H61112H215H3(H2324)
methyl2(((4tertbutylphenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4tertbutylbenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01356451
ZINC000001904874
ZINC000001904876
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