Vitas-M small molecule compound
methyl 5-ethyl-2-({[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK455601
SMILES CCc1sc(c(c1)C(=O)OC)NC(=S)Nc1cc(OCC(C(F)F)(F)F)cc(c1)[N+](=O)[O-]
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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 C18H17F4N3O5S2 MW 495.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F4N3O5S2/c1-3-12-7-13(15(26)29-2)14(32-12)24-17(31)23-9-4-10(25(27)28)6-11(5-9)30-8-18(21,22)16(19)20/h4-7,16H,3,8H2,1-2H3,(H2,23,24,31)InChIKey
HTZBMWVWHFDATO-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)OCC(C(F)F)(F)F)(N+)(=O)(O))C(=O)OC
CCc1sc(c(c1)C(=O)OC)NC(=S)Nc1cc(OCC(C(F)F)(F)F)cc(c1)(N+)(=O)(O)
InChI=1SC18H17F4N3O5S2c1312713(15(26)292)14(3212)2417(31)239410(25(27)28)611(59)30818(2122)16(19)20h4716H38H212H3(H2232431)
methyl5ethyl2(((3nitro5(2233tetrafluoropropoxy)phenyl)carbamothioyl)amino)thiophene3carboxylate
methyl5ethyl2((3nitro5(2233tetrafluoropropoxy)phenyl)carbamothioylamino)thiophene3carboxylate
MFCD04136988
ZINC000002857524
ZINC02857524
ZINC2857524
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