Vitas-M small molecule compound
ethyl 4-{2-oxo-2-[2-({[2-(2-phenoxyethoxy)phenyl]carbonyl}carbamothioyl)hydrazinyl]ethoxy}benzoate
Catalog ID
STL065732
SMILES CCOC(=O)c1ccc(cc1)OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1
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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 C27H27N3O7S MW 537.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7S/c1-2-34-26(33)19-12-14-21(15-13-19)37-18-24(31)29-30-27(38)28-25(32)22-10-6-7-11-23(22)36-17-16-35-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,29,31)(H2,28,30,32,38)InChIKey
WLAIIIUBLZHEJY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3
ethyl4(2oxo2(2(((2(2phenoxyethoxy)phenyl)carbonyl)carbamothioyl)hydrazinyl)ethoxy)benzoate
ETHYL4(2OXO2(2((2(2PHENOXYETHOXY)BENZOYL)CARBAMOTHIOYL)HYDRAZINYL)ETHOXY)BENZOATE
InChI=1SC27H27N3O7Sc123426(33)19121421(151319)371824(31)293027(38)2825(32)2210671123(22)36171635208435920h315H21618H21H3(H2931)(H228303238)
MFCD07143740
ZINC000097940426
ZINC97940426
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