Vitas-M small molecule compound
5-{[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188129
SMILES COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C)[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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-11-8-13(9-15-18(25)21(3)20(30)22(4)19(15)26)12(2)23(11)16-10-14(24(27)28)6-7-17(16)29-5/h6-10H,1-5H3InChIKey
IYLDEZXAFZEFBP-UHFFFAOYSA-NSynonyms
5((1(2METHOXY5NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(2methoxy5nitrophenyl)25dimethylpyrrol3yl)methylidene)13dimethyl2sulfanylidene13diazinane46dione
CC1=CC(=C(N1C2=C(C=CC(=C2)(N+)(=O)(O))OC)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C)(N+)(=O)(O)
InChI=1SC20H20N4O5Sc111813(91518(25)21(3)20(30)22(4)19(15)26)12(2)23(11)161014(24(27)28)6717(16)295h610H15H3
MFCD02779741
ZINC000009259389
ZINC09259389
ZINC9259389
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