Vitas-M small molecule compound
propan-2-yl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK765088
SMILES CC(OC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)[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 C23H24N4O5S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O5S/c1-14(2)32-23(29)20-16-10-6-7-11-18(16)33-22(20)24-21(28)17-12-19(27(30)31)25-26(17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,24,28)InChIKey
LJWYEULLQVRKGW-UHFFFAOYSA-NSynonyms
403715-27-5403715275
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)(N+)(=O)(O)
CC(OC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)(N+)(=O)(O))sc2c1CCCC2)C
InChI=1SC23H24N4O5Sc114(2)3223(29)201610671118(16)3322(20)2421(28)171219(27(30)31)2526(17)13158435915h35891214H67101113H212H3(H2428)
MFCD02371776
propan2yl2(((1benzyl3nitro1Hpyrazol5yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2benzyl5nitropyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000672975
ZINC00672975
ZINC672975
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