Vitas-M small molecule compound
(5E)-1-(2-methoxyphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL044147
SMILES COc1ccccc1N1C(=NC(=O)/C(=C\c2[nH]ccc2)/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 C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c1-22-13-7-3-2-6-12(13)19-15(21)11(14(20)18-16(19)23)9-10-5-4-8-17-10/h2-9,17H,1H3,(H,18,20,23)/b11-9+InChIKey
YSFXISXWZCJMKE-PKNBQFBNSA-NSynonyms
(5E)1(2methoxyphenyl)5(1Hpyrrol2ylmethylidene)2sulfanylidene13diazinane46dione
(5E)1(2methoxyphenyl)5(1Hpyrrol2ylmethylidene)2sulfanylpyrimidine46(1H5H)dione
COC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3)C(=O)NC2=S
COc1ccccc1N1C(=NC(=O)C(=Cc2(nH)ccc2)C1=O)S
InChI=1SC16H13N3O3Sc12213732612(13)1915(21)11(14(20)1816(19)23)9105481710h2917H1H3(H182023)b119+
MFCD03814366
ZINC000001251954
ZINC01251954
ZINC1251954
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