Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK628934
SMILES Clc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=O)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 C23H17ClN4O4S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O4S/c1-13-10-15(14(2)26(13)18-4-3-5-19(12-18)28(31)32)11-20-21(29)25-23(33)27(22(20)30)17-8-6-16(24)7-9-17/h3-12H,1-2H3,(H,25,29,33)/b20-11+InChIKey
WPFNXTBJPWGTAN-RGVLZGJSSA-NSynonyms
Clc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O)S
MFCD09793488
ZINC000000843415
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