Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Catalog ID
STK782432
SMILES COc1cc(CCNC(=O)c2onc(n2)Cn2ccc(n2)[N+](=O)[O-])ccc1OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H18N6O6 MW 402.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O6/c1-27-12-4-3-11(9-13(12)28-2)5-7-18-16(24)17-19-14(21-29-17)10-22-8-6-15(20-22)23(25)26/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,18,24)InChIKey
WAEGKJDGCPGLHI-UHFFFAOYSA-NSynonyms
956207-84-4956207844
COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)CN3C=CC(=N3)(N+)(=O)(O))OC
COc1cc(CCNC(=O)c2onc(n2)Cn2ccc(n2)(N+)(=O)(O))ccc1OC
InChI=1SC17H18N6O6c127124311(913(12)282)571816(24)171914(212917)10228615(2022)23(25)26h34689H5710H212H3(H1824)
MFCD06017588
N(2(34dimethoxyphenyl)ethyl)3((3nitro1Hpyrazol1yl)methyl)124oxadiazole5carboxamide
N(2(34DIMETHOXYPHENYL)ETHYL)3((3NITROPYRAZOL1YL)METHYL)124OXADIAZOLE5CARBOXAMIDE
ZINC000012371317
ZINC12371317
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