Vitas-M small molecule compound
2-{[(4-tert-butylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STK536670
SMILES O=C(c1ccc(cc1)C(C)(C)C)Nc1sc2c(c1C(=O)O)CCCC2
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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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-20(2,3)13-10-8-12(9-11-13)17(22)21-18-16(19(23)24)14-6-4-5-7-15(14)25-18/h8-11H,4-7H2,1-3H3,(H,21,22)(H,23,24)InChIKey
DIYDYTVBJNQNCR-UHFFFAOYSA-NSynonyms
2(((4tertbutylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2((4tertbutylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2(4(tertbutyl)benzamido)4567tetrahydrobenzo(b)thiophene3carboxylicacid
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O
InChI=1SC20H23NO3Sc120(23)1310812(91113)17(22)211816(19(23)24)14645715(14)2518h811H47H213H3(H2122)(H2324)
MFCD01464813
ZINC000002158336
ZINC2158336
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