Vitas-M small molecule compound
methyl 3-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl][(1-ethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}thiophene-2-carboxylate
Catalog ID
STL397399
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N(C(=O)c1n(CC)ncc1[N+](=O)[O-])c1ccsc1C(=O)OC
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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 C18H17N7O8S MW 491.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N7O8S/c1-4-21-9-12(25(31)32)13(20-21)16(26)23(10-6-7-34-15(10)18(28)33-3)17(27)14-11(24(29)30)8-19-22(14)5-2/h6-9H,4-5H2,1-3H3InChIKey
CVWNRUWIEPPGFC-UHFFFAOYSA-NSynonyms
512811-02-8512811028
CCN1C=C(C(=N1)C(=O)N(C2=C(SC=C2)C(=O)OC)C(=O)C3=C(C=NN3CC)(N+)(=O)(O))(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N(C(=O)c1n(CC)ncc1(N+)(=O)(O))c1ccsc1C(=O)OC
InChI=1SC18H17N7O8Sc1421912(25(31)32)13(2021)16(26)23(10673415(10)18(28)333)17(27)1411(24(29)30)81922(14)52h69H45H213H3
METHYL3(((1ETHYL4NITRO1HPYRAZOL3YL)CARBONYL)((1ETHYL4NITRO1HPYRAZOL5YL)CARBONYL)AMINO)2THIOPHENECARBOXYLATE
METHYL3(((1ETHYL4NITRO1HPYRAZOL3YL)CARBONYL)((1ETHYL4NITRO1HPYRAZOL5YL)CARBONYL)AMINO)THIOPHENE2CARBOXYLATE
METHYL3((1ETHYL4NITROPYRAZOLE3CARBONYL)(2ETHYL4NITROPYRAZOLE3CARBONYL)AMINO)THIOPHENE2CARBOXYLATE
MFCD03466042
ZINC000002744030
ZINC02744030
ZINC2744030
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.