Vitas-M small molecule compound
(5Z)-1-butyl-5-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK855485
SMILES CCCCN1C(=NC(=O)/C(=C\2/NNC(C2)c2ccc(c(c2)OC)OC)/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 C19H24N4O4S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O4S/c1-4-5-8-23-18(25)16(17(24)20-19(23)28)13-10-12(21-22-13)11-6-7-14(26-2)15(9-11)27-3/h6-7,9,12,21-22H,4-5,8,10H2,1-3H3,(H,20,24,28)/b16-13-InChIKey
XXXVBNWQCBGPLG-SSZFMOIBSA-NSynonyms
(5Z)1butyl5(5(34dimethoxyphenyl)pyrazolidin3ylidene)2sulfanylidene13diazinane46dione
(5Z)1butyl5(5(34dimethoxyphenyl)pyrazolidin3ylidene)2sulfanylpyrimidine46(1H5H)dione
CCCCN1C(=NC(=O)C(=C2NNC(C2)c2ccc(c(c2)OC)OC)C1=O)S
CCCCN1C(=O)C(=C2CC(NN2)C3=CC(=C(C=C3)OC)OC)C(=O)NC1=S
InChI=1SC19H24N4O4Sc14582318(25)16(17(24)2019(23)28)131012(212213)116714(262)15(911)273h679122122H45810H213H3(H202428)b1613
MFCD09793309
ZINC000013571497
ZINC000013571499
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