Vitas-M small molecule compound
methyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL405564
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCC(C2)C
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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 C17H19BrN4O5S MW 471.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O5S/c1-8-4-5-10-11(6-8)28-16(13(10)17(24)27-3)19-12(23)7-21-9(2)14(18)15(20-21)22(25)26/h8H,4-7H2,1-3H3,(H,19,23)InChIKey
VCSUEJQZLLYXAB-UHFFFAOYSA-NSynonyms
355805-15-1355805151
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=C(C(=N3)(N+)(=O)(O))Br)C
COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc2c1CCC(C2)C
InChI=1SC17H19BrN4O5Sc18451011(68)2816(13(10)17(24)273)1912(23)7219(2)14(18)15(2021)22(25)26h8H47H213H3(H1923)
methyl2(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4bromo5methyl3nitropyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01451813
ZINC000000845125
ZINC000000845126
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