Vitas-M small molecule compound
ethyl 2-[({[2-(morpholin-4-yl)-5-nitrophenyl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK347306
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)[N+](=O)[O-])sc2c1CCCC2
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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 C23H26N4O6S2 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O6S2/c1-2-33-22(29)19-15-5-3-4-6-18(15)35-21(19)25-23(34)24-20(28)16-13-14(27(30)31)7-8-17(16)26-9-11-32-12-10-26/h7-8,13H,2-6,9-12H2,1H3,(H2,24,25,28,34)InChIKey
SKXKINDGCPNEDL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCOCC4
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)(N+)(=O)(O))sc2c1CCCC2
ethyl2((((2(morpholin4yl)5nitrophenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2morpholin4yl5nitrobenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H26N4O6S2c123322(29)1915534618(15)3521(19)2523(34)2420(28)161314(27(30)31)7817(16)2691132121026h7813H26912H21H3(H224252834)
MFCD06630976
ZINC000012860701
ZINC12860701
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