Vitas-M small molecule compound
4-{[2-(methoxycarbonyl)thiophen-3-yl]amino}-2-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxobutanoic acid
Catalog ID
STL158329
SMILES COc1ccc(cc1)N1CCN(CC1)CC(C(=O)O)CC(=O)Nc1ccsc1C(=O)OC
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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 C22H27N3O6S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6S/c1-30-17-5-3-16(4-6-17)25-10-8-24(9-11-25)14-15(21(27)28)13-19(26)23-18-7-12-32-20(18)22(29)31-2/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,23,26)(H,27,28)InChIKey
RPANICXRSQQMIA-UHFFFAOYSA-NSynonyms
1282111-79-81282111798
4((2(methoxycarbonyl)thiophen3yl)amino)2((4(4methoxyphenyl)piperazin1yl)methyl)4oxobutanoicacid
4((2methoxycarbonylthiophen3yl)amino)2((4(4methoxyphenyl)piperazin1yl)methyl)4oxobutanoicacid
COC1=CC=C(C=C1)N2CCN(CC2)CC(CC(=O)NC3=C(SC=C3)C(=O)OC)C(=O)O
InChI=1SC22H27N3O6Sc130175316(4617)2510824(91125)1415(21(27)28)1319(26)23187123220(18)22(29)312h371215H8111314H212H3(H2326)(H2728)
MFCD18800181
ZINC000061721940
ZINC000061721941
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