Vitas-M small molecule compound
propan-2-yl 1-ethyl-4-[({1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-1H-pyrazole-3-carboxylate
Catalog ID
STK311632
SMILES CCn1nc(c(c1)NC(=O)c1ccn(n1)COc1ccccc1[N+](=O)[O-])C(=O)OC(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 C20H22N6O6 MW 442.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O6/c1-4-24-11-15(18(23-24)20(28)32-13(2)3)21-19(27)14-9-10-25(22-14)12-31-17-8-6-5-7-16(17)26(29)30/h5-11,13H,4,12H2,1-3H3,(H,21,27)InChIKey
RXWDFUHHZBCDJN-UHFFFAOYSA-NSynonyms
1005690-08-31005690083
CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3(N+)(=O)(O)
CCn1nc(c(c1)NC(=O)c1ccn(n1)COc1ccccc1(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC20H22N6O6c14241115(18(2324)20(28)3213(2)3)2119(27)1491025(2214)123117865716(17)26(29)30h51113H412H213H3(H2127)
MFCD04139226
propan2yl1ethyl4(((1((2nitrophenoxy)methyl)1Hpyrazol3yl)carbonyl)amino)1Hpyrazole3carboxylate
propan2yl1ethyl4((1((2nitrophenoxy)methyl)pyrazole3carbonyl)amino)pyrazole3carboxylate
ZINC000002729258
ZINC02729258
ZINC2729258
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