Vitas-M small molecule compound
(5Z)-5-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzylidene}-2-sulfanyl-3-(tetrahydrofuran-2-ylmethyl)-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STK307047
SMILES COc1ccc(cc1Cn1ccc(n1)[N+](=O)[O-])/C=C/1\N=C(N(C1=O)CC1CCCO1)S
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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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-29-17-5-4-13(9-14(17)11-23-7-6-18(22-23)25(27)28)10-16-19(26)24(20(31)21-16)12-15-3-2-8-30-15/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,21,31)/b16-10-InChIKey
ZQSZUYFAAIEOIN-YBEGLDIGSA-NSynonyms
1005649-60-4(5Z)5((4methoxy3((3nitropyrazol1yl)methyl)phenyl)methylidene)3(oxolan2ylmethyl)2sulfanylideneimidazolidin4one
(5Z)5(4methoxy3((3nitro1Hpyrazol1yl)methyl)benzylidene)2sulfanyl3(tetrahydrofuran2ylmethyl)35dihydro4Himidazol4one
1005649604
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N2)CC3CCCO3)CN4C=CC(=N4)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=C1N=C(N(C1=O)CC1CCCO1)S
InChI=1SC20H21N5O5Sc129175413(914(17)11237618(2223)25(27)28)101619(26)24(20(31)2116)12153283015h4791015H2381112H21H3(H2131)b1610
MFCD04130419
ZINC000002792521
ZINC000002792523
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