Vitas-M small molecule compound
3,4,5-triethoxy-N-({4-[(phenylacetyl)amino]phenyl}carbamothioyl)benzamide
Catalog ID
STK336848
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(cc1)NC(=O)Cc1ccccc1
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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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-4-34-23-17-20(18-24(35-5-2)26(23)36-6-3)27(33)31-28(37)30-22-14-12-21(13-15-22)29-25(32)16-19-10-8-7-9-11-19/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,32)(H2,30,31,33,37)InChIKey
MJYBCAGPPTZJSP-UHFFFAOYSA-NSynonyms
2PHENYLN(4(3(345TRIETHOXYBENZOYL)THIOUREIDO)PHENYL)ACETAMIDE
345TRIETHOXYN((4((2PHENYLACETYL)AMINO)PHENYL)CARBAMOTHIOYL)BENZAMIDE
345TRIETHOXYN((4((PHENYLACETYL)AMINO)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3
InChI=1SC28H31N3O5Sc1434231720(1824(3552)26(23)3663)27(33)3128(37)3022141221(131522)2925(32)1619108791119h7151718H4616H213H3(H2932)(H230313337)
MFCD03922660
ZINC000005948489
ZINC05948489
ZINC5948489
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