Vitas-M small molecule compound
2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK957362
SMILES O=C(Cn1nc(c(c1C)Br)[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCC(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 C19H24BrN5O4S MW 498.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24BrN5O4S/c1-9-15(20)17(25(28)29)23-24(9)8-13(26)22-18-14(16(21)27)11-6-5-10(19(2,3)4)7-12(11)30-18/h10H,5-8H2,1-4H3,(H2,21,27)(H,22,26)InChIKey
GMOAYYRGZSRGLR-UHFFFAOYSA-NSynonyms
514217-40-42(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
2((2(4bromo5methyl3nitropyrazol1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
514217404
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)(N+)(=O)(O))Br
InChI=1SC19H24BrN5O4Sc1915(20)17(25(28)29)2324(9)813(26)221814(16(21)27)116510(19(23)4)712(11)3018h10H58H214H3(H22127)(H2226)
MFCD01447802
O=C(Cn1nc(c(c1C)Br)(N+)(=O)(O))Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
ZINC000002738929
ZINC000002738930
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