Vitas-M small molecule compound
4-{[4-(4-tert-butylphenyl)-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK471910
SMILES CCCOC(=O)c1c(scc1c1ccc(cc1)C(C)(C)C)NC(=O)CCC(=O)O
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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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-5-12-28-21(27)19-16(14-6-8-15(9-7-14)22(2,3)4)13-29-20(19)23-17(24)10-11-18(25)26/h6-9,13H,5,10-12H2,1-4H3,(H,23,24)(H,25,26)InChIKey
VFUBGCNNKLCPEM-UHFFFAOYSA-NSynonyms
3(N(4(4(TERTBUTYL)PHENYL)3(PROPOXYCARBONYL)2THIENYL)CARBAMOYL)PROPANOICACID
4((4(4TERTBUTYLPHENYL)3(PROPOXYCARBONYL)THIOPHEN2YL)AMINO)4OXOBUTANOICACID
4((4(4tertbutylphenyl)3propoxycarbonylthiophen2yl)amino)4oxobutanoicacid
CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CCC(=O)O
InChI=1SC22H27NO5Sc15122821(27)1916(146815(9714)22(23)4)132920(19)2317(24)101118(25)26h6913H51012H214H3(H2324)(H2526)
MFCD02254989
ZINC000005952013
ZINC5952013
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