Vitas-M small molecule compound
methyl 2-[({5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK315295
SMILES COC(=O)c1c(NC(=O)c2noc(c2COc2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2
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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 C21H19N3O7S MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7S/c1-11-15(10-30-13-8-6-12(7-9-13)24(27)28)18(23-31-11)19(25)22-20-17(21(26)29-2)14-4-3-5-16(14)32-20/h6-9H,3-5,10H2,1-2H3,(H,22,25)InChIKey
UZMLHAFXRDEKGE-UHFFFAOYSA-NSynonyms
931996-57-5931996575
CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)COC4=CC=C(C=C4)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2noc(c2COc2ccc(cc2)(N+)(=O)(O))C)sc2c1CCC2
InChI=1SC21H19N3O7Sc11115(1030138612(7913)24(27)28)18(233111)19(25)222017(21(26)292)1443516(14)3220h69H3510H212H3(H2225)
methyl2(((5methyl4((4nitrophenoxy)methyl)12oxazol3yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((5methyl4((4nitrophenoxy)methyl)12oxazole3carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD08557096
ZINC000013641152
ZINC13641152
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