Vitas-M small molecule compound
4-({5-methyl-3-[(propan-2-yloxy)carbonyl]-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid
Catalog ID
STK471908
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)c1ccc(cc1)C(C)C)C)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/c1-12(2)15-6-8-16(9-7-15)19-14(5)29-21(20(19)22(27)28-13(3)4)23-17(24)10-11-18(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)(H,25,26)InChIKey
QMSMISYNVPRGBD-UHFFFAOYSA-NSynonyms
3(N(5METHYL3((METHYLETHYL)OXYCARBONYL)4(4(METHYLETHYL)PHENYL)2THIENYL)CARBAMOYL)PROPANOICACID
4((5methyl3((propan2yloxy)carbonyl)4(4(propan2yl)phenyl)thiophen2yl)amino)4oxobutanoicacid
4((5methyl3propan2yloxycarbonyl4(4propan2ylphenyl)thiophen2yl)amino)4oxobutanoicacid
CC1=C(C(=C(S1)NC(=O)CCC(=O)O)C(=O)OC(C)C)C2=CC=C(C=C2)C(C)C
InChI=1SC22H27NO5Sc112(2)156816(9715)1914(5)2921(20(19)22(27)2813(3)4)2317(24)101118(25)26h691213H1011H215H3(H2324)(H2526)
MFCD02255496
ZINC000006184220
ZINC6184220
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