Vitas-M small molecule compound
propyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL399418
SMILES CCCOC(=O)c1c(NC(=O)c2ccc(cc2)Cn2nc(c(c2C)[N+](=O)[O-])C)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 C25H28N4O5S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5S/c1-4-13-34-25(31)21-19-7-5-6-8-20(19)35-24(21)26-23(30)18-11-9-17(10-12-18)14-28-16(3)22(29(32)33)15(2)27-28/h9-12H,4-8,13-14H2,1-3H3,(H,26,30)InChIKey
MNXHGPFSDBNNGT-UHFFFAOYSA-NSynonyms
514799-09-8514799098
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)(N+)(=O)(O))C
CCCOC(=O)c1c(NC(=O)c2ccc(cc2)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCC2
InChI=1SC25H28N4O5Sc14133425(31)2119756820(19)3524(21)2623(30)1811917(101218)142816(3)22(29(32)33)15(2)2728h912H481314H213H3(H2630)
MFCD01922305
propyl2(((4((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl2((4((35dimethyl4nitropyrazol1yl)methyl)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002753383
ZINC02753383
ZINC2753383
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