Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Catalog ID
STK622679
SMILES SC1=NC(=O)/C(=C/c2cc(n(c2C)c2cccc(c2)C)C)/C(=N1)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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c1-10-5-4-6-14(7-10)21-11(2)8-13(12(21)3)9-15-16(22)19-18(24)20-17(15)23/h4-9H,1-3H3,(H2,19,20,22,23,24)InChIKey
RSQWCNMSMAPTQC-UHFFFAOYSA-NSynonyms
(5E)5((25dimethyl1(3methylphenyl)1Hpyrrol3yl)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((25DIMETHYL1(3METHYLPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)NC3=O)C
InChI=1SC18H17N3O2Sc11054614(710)2111(2)813(12(21)3)91516(22)1918(24)2017(15)23h49H13H3(H21920222324)
MFCD09789670
SC1=NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C)C)C(=N1)O
ZINC000013550252
ZINC13550252
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