Vitas-M small molecule compound
propan-2-yl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK839164
SMILES CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCCC2)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 C18H21BrN4O5S MW 485.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN4O5S/c1-9(2)28-18(25)14-11-6-4-5-7-12(11)29-17(14)20-13(24)8-22-10(3)15(19)16(21-22)23(26)27/h9H,4-8H2,1-3H3,(H,20,24)InChIKey
CCQAGQNBMHRFKK-UHFFFAOYSA-NSynonyms
355805-09-3355805093
CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc2c1CCCC2)C
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)(N+)(=O)(O))Br
InChI=1SC18H21BrN4O5Sc19(2)2818(25)1411645712(11)2917(14)2013(24)82210(3)15(19)16(2122)23(26)27h9H48H213H3(H2024)
isopropyl2(2(4bromo5methyl3nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01447228
propan2yl2(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(4bromo5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000845116
ZINC00845116
ZINC845116
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