Vitas-M small molecule compound
propan-2-yl 1-ethyl-4-[({5-[(4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-1H-pyrazole-3-carboxylate
Catalog ID
STK311643
SMILES CCn1cc(c(n1)C(=O)OC(C)C)NC(=O)c1ccc(o1)COc1ccc(cc1)[N+](=O)[O-]
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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 C21H22N4O7 MW 442.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O7/c1-4-24-11-17(19(23-24)21(27)31-13(2)3)22-20(26)18-10-9-16(32-18)12-30-15-7-5-14(6-8-15)25(28)29/h5-11,13H,4,12H2,1-3H3,(H,22,26)InChIKey
ZRBQNBYCGFSSCI-UHFFFAOYSA-NSynonyms
1005661-48-21005661482
CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)(N+)(=O)(O)
CCn1cc(c(n1)C(=O)OC(C)C)NC(=O)c1ccc(o1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H22N4O7c14241117(19(2324)21(27)3113(2)3)2220(26)1810916(3218)1230157514(6815)25(28)29h51113H412H213H3(H2226)
MFCD04139313
propan2yl1ethyl4(((5((4nitrophenoxy)methyl)furan2yl)carbonyl)amino)1Hpyrazole3carboxylate
propan2yl1ethyl4((5((4nitrophenoxy)methyl)furan2carbonyl)amino)pyrazole3carboxylate
ZINC000002729422
ZINC02729422
ZINC2729422
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