Vitas-M small molecule compound
methyl 3-[({2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4-methylbenzoate
Catalog ID
STK308271
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])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 C22H22N4O5 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5/c1-13-9-10-16(22(28)31-4)11-19(13)23-21(27)18-8-6-5-7-17(18)12-25-15(3)20(26(29)30)14(2)24-25/h5-11H,12H2,1-4H3,(H,23,27)InChIKey
QCHHVKCMBUYPBK-UHFFFAOYSA-NSynonyms
1005568-08-01005568080
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)(N+)(=O)(O))C
COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC22H22N4O5c11391016(22(28)314)1119(13)2321(27)18865717(18)122515(3)20(26(29)30)14(2)2425h511H12H214H3(H2327)
methyl3(((2((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)4methylbenzoate
METHYL3((2((35DIMETHYL4NITROPYRAZOL1YL)METHYL)BENZOYL)AMINO)4METHYLBENZOATE
METHYL3((2((35DIMETHYL4NITROPYRAZOLYL)METHYL)PHENYL)CARBONYLAMINO)4METHYLBENZOATE
MFCD04132004
ZINC000002796305
ZINC02796305
ZINC2796305
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