Vitas-M small molecule compound
1,3-dimethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide
Catalog ID
STK963974
SMILES Cc1cc(Oc2cc(cc(c2)[N+](=O)[O-])NC(=O)c2n(C)nc(c2[N+](=O)[O-])C)c(c(c1)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 C21H21N5O6 MW 439.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O6/c1-11-6-12(2)13(3)18(7-11)32-17-9-15(8-16(10-17)25(28)29)22-21(27)20-19(26(30)31)14(4)23-24(20)5/h6-10H,1-5H3,(H,22,27)InChIKey
VRWFWJJKVACGNW-UHFFFAOYSA-NSynonyms
512825-33-113dimethyl4nitroN(3nitro5(235trimethylphenoxy)phenyl)1Hpyrazole5carboxamide
25DIMETHYL4NITRON(3NITRO5(235TRIMETHYLPHENOXY)PHENYL)PYRAZOLE3CARBOXAMIDE
4NITRON(3NITRO5(235TRIMETHYLPHENOXY)PHENYL)13DIMETHYL1HPYRAZOLE5CARBOXAMIDE
512825331
CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=C(C(=NN3C)C)(N+)(=O)(O))C)C
Cc1cc(Oc2cc(cc(c2)(N+)(=O)(O))NC(=O)c2n(C)nc(c2(N+)(=O)(O))C)c(c(c1)C)C
InChI=1SC21H21N5O6c111612(2)13(3)18(711)3217915(816(1017)25(28)29)2221(27)2019(26(30)31)14(4)2324(20)5h610H15H3(H2227)
MFCD03468661
ZINC000002735575
ZINC02735575
ZINC2735575
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