Vitas-M small molecule compound
methyl 2-({[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK305436
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C(F)(F)F)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 C16H15F3N4O5S MW 432.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O5S/c1-7-12(23(26)27)13(16(17,18)19)21-22(7)6-10(24)20-14-11(15(25)28-2)8-4-3-5-9(8)29-14/h3-6H2,1-2H3,(H,20,24)InChIKey
APAZAVKCCURGDP-UHFFFAOYSA-NSynonyms
1005612-51-01005612510
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)C(F)(F)F)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C(F)(F)F)sc2c1CCC2
InChI=1SC16H15F3N4O5Sc1712(23(26)27)13(16(1718)19)2122(7)610(24)201411(15(25)282)84359(8)2914h36H212H3(H2024)
methyl2(((5methyl4nitro3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2(5METHYL4NITRO3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD04050606
ZINC000002786238
ZINC02786238
ZINC2786238
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