Vitas-M small molecule compound
methyl 2-{[(4-ethoxy-2-nitrophenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK457491
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=S)Nc1sc2c(c1C(=O)OC)CCC2
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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 C18H19N3O5S2 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S2/c1-3-26-10-7-8-12(13(9-10)21(23)24)19-18(27)20-16-15(17(22)25-2)11-5-4-6-14(11)28-16/h7-9H,3-6H2,1-2H3,(H2,19,20,27)InChIKey
AARZRMNSFMVFAX-UHFFFAOYSA-NSynonyms
CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=S)Nc1sc2c(c1C(=O)OC)CCC2
InChI=1SC18H19N3O5S2c1326107812(13(910)21(23)24)1918(27)201615(17(22)252)1154614(11)2816h79H36H212H3(H2192027)
METHYL2((((4ETHOXY2NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((4ethoxy2nitrophenyl)carbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((4ETHOXY2NITROPHENYL)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD05064154
ZINC000016361075
ZINC16361075
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