Vitas-M small molecule compound
methyl 2-({[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305435
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C(F)(F)F)sc2c1CCCC2
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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 C17H17F3N4O5S MW 446.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4O5S/c1-8-13(24(27)28)14(17(18,19)20)22-23(8)7-11(25)21-15-12(16(26)29-2)9-5-3-4-6-10(9)30-15/h3-7H2,1-2H3,(H,21,25)InChIKey
RYBNKQPZUXCNOM-UHFFFAOYSA-NSynonyms
1005696-84-31005696843
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)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)sc2c1CCCC2
InChI=1SC17H17F3N4O5Sc1813(24(27)28)14(17(1819)20)2223(8)711(25)211512(16(26)292)9534610(9)3015h37H212H3(H2125)
methyl2(((5methyl4nitro3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(5methyl4nitro3(trifluoromethyl)pyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04050625
ZINC000002786231
ZINC02786231
ZINC2786231
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