Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK427189
SMILES CCOC(=O)c1c(NC(=O)C(Oc2ccc(c(c2)C)C)CC)sc2c1CCC(C2)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 C27H37NO4S MW 471.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO4S/c1-8-21(32-19-12-10-16(3)17(4)14-19)24(29)28-25-23(26(30)31-9-2)20-13-11-18(27(5,6)7)15-22(20)33-25/h10,12,14,18,21H,8-9,11,13,15H2,1-7H3,(H,28,29)InChIKey
BNAKNGWFPOPPED-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC3=CC(=C(C=C3)C)C
ethyl6tertbutyl2((2(34dimethylphenoxy)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2(2(34dimethylphenoxy)butanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H37NO4Sc1821(3219121016(3)17(4)1419)24(29)282523(26(30)3192)20131118(27(56)7)1522(20)3325h1012141821H89111315H217H3(H2829)
MFCD02612276
ZINC000002783323
ZINC000002783326
Check stock
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Check stock on Vitas-MAvailable files
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