Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL330153
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)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 C21H27ClN4O5S MW 482.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O5S/c1-6-31-20(28)16-13-8-7-12(21(3,4)5)9-14(13)32-19(16)23-15(27)10-25-11(2)17(22)18(24-25)26(29)30/h12H,6-10H2,1-5H3,(H,23,27)InChIKey
YZLNDKDVMKQKLR-UHFFFAOYSA-NSynonyms
355804-97-6355804976
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CN3C(=C(C(=N3)(N+)(=O)(O))Cl)C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
ethyl6(tertbutyl)2(2(4chloro5methyl3nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl6tertbutyl2(((4chloro5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(4chloro5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H27ClN4O5Sc163120(28)16138712(21(34)5)914(13)3219(16)2315(27)102511(2)17(22)18(2425)26(29)30h12H610H215H3(H2327)
MFCD01450717
ZINC000000845101
ZINC000002737911
Check stock
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