Vitas-M small molecule compound
methyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK967914
SMILES COC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)[N+](=O)[O-])sc2c1CCCCC2
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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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-31-22(28)19-15-10-6-3-7-11-17(15)32-21(19)23-20(27)16-12-18(26(29)30)24-25(16)13-14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,23,27)InChIKey
HUFBNKFDFCSYKP-UHFFFAOYSA-NSynonyms
488822-66-8488822668
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC22H22N4O5Sc13122(28)1915106371117(15)3221(19)2320(27)161218(26(29)30)2425(16)13148425914h2458912H367101113H21H3(H2327)
methyl2(((1benzyl3nitro1Hpyrazol5yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2benzyl5nitropyrazole3carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD02371483
ZINC000000672777
ZINC00672777
ZINC672777
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