Vitas-M small molecule compound
4-{[5-ethyl-3-(methoxycarbonyl)-4-phenylthiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK471660
SMILES COC(=O)c1c(NC(=O)CCC(=O)O)sc(c1c1ccccc1)CC
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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 C18H19NO5S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO5S/c1-3-12-15(11-7-5-4-6-8-11)16(18(23)24-2)17(25-12)19-13(20)9-10-14(21)22/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22)InChIKey
FSESSEBVTOCVAP-UHFFFAOYSA-NSynonyms
3(N(5ETHYL3(METHOXYCARBONYL)4PHENYL2THIENYL)CARBAMOYL)PROPANOICACID
4((5ethyl3(methoxycarbonyl)4phenylthiophen2yl)amino)4oxobutanoicacid
4((5ethyl3methoxycarbonyl4phenylthiophen2yl)amino)4oxobutanoicacid
CCC1=C(C(=C(S1)NC(=O)CCC(=O)O)C(=O)OC)C2=CC=CC=C2
InChI=1SC18H19NO5Sc131215(117546811)16(18(23)242)17(2512)1913(20)91014(21)22h48H3910H212H3(H1920)(H2122)
MFCD06025790
ZINC000017074403
ZINC17074403
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