Vitas-M small molecule compound
ethyl 4-(3-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate
Catalog ID
STK662927
SMILES CCOc1ccc(cc1)NC(=O)CC1N(CCCN2CCC(CC2)C(=O)N)C(=S)N(C1=O)c1ccc(cc1)C(=O)OCC
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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 C31H39N5O6S MW 609.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6S/c1-3-41-25-12-8-23(9-13-25)33-27(37)20-26-29(39)36(24-10-6-22(7-11-24)30(40)42-4-2)31(43)35(26)17-5-16-34-18-14-21(15-19-34)28(32)38/h6-13,21,26H,3-5,14-20H2,1-2H3,(H2,32,38)(H,33,37)InChIKey
OPAFBWLGTFEJCF-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCC(CC3)C(=O)N)C4=CC=C(C=C4)C(=O)OCC
ethyl4(3(3(4carbamoylpiperidin1yl)propyl)4(2((4ethoxyphenyl)amino)2oxoethyl)5oxo2thioxoimidazolidin1yl)benzoate
ETHYL4(3(3(4CARBAMOYLPIPERIDIN1YL)PROPYL)4(2(4ETHOXYANILINO)2OXOETHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)BENZOATE
InChI=1SC31H39N5O6Sc13412512823(91325)3327(37)202629(39)36(2410622(71124)30(40)4242)31(43)35(26)1751634181421(151934)28(32)38h6132126H351420H212H3(H23238)(H3337)
MFCD03916487
ZINC000098005927
ZINC000098005928
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