Vitas-M small molecule compound
4-{(2-fluorobenzyl)[(4-phenyl-2-thioxoimidazolidin-1-yl)acetyl]amino}-N-(4-methoxyphenyl)tetrahydro-2H-thiopyran-4-carboxamide
Catalog ID
STL447075
SMILES COc1ccc(cc1)NC(=O)C1(CCSCC1)N(C(=O)CN1CC(NC1=S)c1ccccc1)Cc1ccccc1F
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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 C31H33FN4O3S2 MW 592.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33FN4O3S2/c1-39-25-13-11-24(12-14-25)33-29(38)31(15-17-41-18-16-31)36(19-23-9-5-6-10-26(23)32)28(37)21-35-20-27(34-30(35)40)22-7-3-2-4-8-22/h2-14,27H,15-21H2,1H3,(H,33,38)(H,34,40)InChIKey
LDEUPDOTBHRMRA-UHFFFAOYSA-NSynonyms
4((2fluorobenzyl)((4phenyl2thioxoimidazolidin1yl)acetyl)amino)N(4methoxyphenyl)tetrahydro2Hthiopyran4carboxamide
4((2FLUOROPHENYL)METHYL(2(4PHENYL2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETYL)AMINO)N(4METHOXYPHENYL)THIANE4CARBOXAMIDE
4(N(2FLUOROBENZYL)2(4PHENYL2THIOXOIMIDAZOLIDIN1YL)ACETAMIDO)N(4METHOXYPHENYL)TETRAHYDRO2HTHIOPYRAN4CARBOXAMIDE
COC1=CC=C(C=C1)NC(=O)C2(CCSCC2)N(CC3=CC=CC=C3F)C(=O)CN4CC(NC4=S)C5=CC=CC=C5
InChI=1SC31H33FN4O3S2c13925131124(121425)3329(38)31(151741181631)36(19239561026(23)32)28(37)21352027(3430(35)40)227324822h21427H1521H21H3(H3338)(H3440)
MFCD06240629
ZINC000008748438
ZINC000008748446
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