Vitas-M small molecule compound
N-methyl-2-{[(3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL391348
SMILES CNC(=O)c1c(NC(=O)Cn2ccc(n2)[N+](=O)[O-])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 C15H17N5O4S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O4S/c1-16-14(22)13-9-4-2-3-5-10(9)25-15(13)17-12(21)8-19-7-6-11(18-19)20(23)24/h6-7H,2-5,8H2,1H3,(H,16,22)(H,17,21)InChIKey
VDIUQNLYADIHJG-UHFFFAOYSA-NSynonyms
514220-40-7514220407
CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=CC(=N3)(N+)(=O)(O)
CNC(=O)c1c(NC(=O)Cn2ccc(n2)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC15H17N5O4Sc11614(22)139423510(9)2515(13)1712(21)8197611(1819)20(23)24h67H258H21H3(H1622)(H1721)
MFCD01921898
Nmethyl2(((3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
Nmethyl2((2(3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000000998776
ZINC00998776
ZINC998776
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