Vitas-M small molecule compound
propan-2-yl 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
STL330631
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)Cn1nc(c(c1C)Br)[N+](=O)[O-]
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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 C19H23BrN4O5S MW 499.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN4O5S/c1-9(2)29-19(26)15-12-6-5-10(3)7-13(12)30-18(15)21-14(25)8-23-11(4)16(20)17(22-23)24(27)28/h9-10H,5-8H2,1-4H3,(H,21,25)InChIKey
SVIMZWDLHAUPNE-UHFFFAOYSA-NSynonyms
345237-70-9345237709
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CN3C(=C(C(=N3)(N+)(=O)(O))Br)C
CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)Cn1nc(c(c1C)Br)(N+)(=O)(O)
InChI=1SC19H23BrN4O5Sc19(2)2919(26)15126510(3)713(12)3018(15)2114(25)82311(4)16(20)17(2223)24(27)28h910H58H214H3(H2125)
isopropyl2(2(4bromo5methyl3nitro1Hpyrazol1yl)acetamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01450283
propan2yl2(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(4bromo5methyl3nitropyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000000997004
ZINC000000997005
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