Vitas-M small molecule compound
diethyl 3-methyl-5-[({[2-(morpholin-4-yl)-5-nitrophenyl]carbonyl}carbamothioyl)amino]thiophene-2,4-dicarboxylate
Catalog ID
STK346258
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)[N+](=O)[O-])sc(c1C)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 C23H26N4O8S2 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O8S2/c1-4-34-21(29)17-13(3)18(22(30)35-5-2)37-20(17)25-23(36)24-19(28)15-12-14(27(31)32)6-7-16(15)26-8-10-33-11-9-26/h6-7,12H,4-5,8-11H2,1-3H3,(H2,24,25,28,36)InChIKey
WABHWDRHZULKPZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))N3CCOCC3
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)(N+)(=O)(O))sc(c1C)C(=O)OCC
diethyl3methyl5((((2(morpholin4yl)5nitrophenyl)carbonyl)carbamothioyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((2MORPHOLIN4YL5NITROBENZOYL)CARBAMOTHIOYLAMINO)THIOPHENE24DICARBOXYLATE
InChI=1SC23H26N4O8S2c143421(29)1713(3)18(22(30)3552)3720(17)2523(36)2419(28)151214(27(31)32)6716(15)268103311926h6712H45811H213H3(H224252836)
MFCD06631681
ZINC000059630558
ZINC59630558
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