Vitas-M small molecule compound
6-tert-butyl-2-{[(2-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STL420515
SMILES OC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccccc1C
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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 C21H25NO3S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3S/c1-12-7-5-6-8-14(12)18(23)22-19-17(20(24)25)15-10-9-13(21(2,3)4)11-16(15)26-19/h5-8,13H,9-11H2,1-4H3,(H,22,23)(H,24,25)InChIKey
AEQPUDJFCPDKHZ-UHFFFAOYSA-NSynonyms
6tertbutyl2(((2methylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
6tertbutyl2((2methylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)O
InChI=1SC21H25NO3Sc112756814(12)18(23)221917(20(24)25)1510913(21(23)4)1116(15)2619h5813H911H214H3(H2223)(H2425)
MFCD03017340
ZINC000004187122
ZINC000004187124
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