Vitas-M small molecule compound

(5E)-5-{[5-(diethylamino)furan-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK191564
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)N(CC)CC)/C1=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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-4-23(5-2)18-12-11-16(28-18)13-17-19(25)22-21(29)24(20(17)26)14-7-9-15(10-8-14)27-6-3/h7-13H,4-6H2,1-3H3,(H,22,25,29)/b17-13+
InChIKey
YRTALDARKFGUGI-GHRIWEEISA-N
Synonyms

(5E)5((5(DIETHYLAMINO)FURAN2YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((5(DIETHYLAMINO)FURAN2YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)5((5(DIETHYLAMINO)FURAN2YL)METHYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(E)5((5(diethylamino)furan2yl)methylene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
5((5(DIETHYLAMINO)2FURYL)METHYLENE)1(4ETHOXYPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCN(CC)C1=CC=C(O1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OCC
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)N(CC)CC)C1=O
InChI=1SC21H23N3O4Sc1423(52)18121116(2818)131719(25)2221(29)24(20(17)26)147915(10814)2763h713H46H213H3(H222529)b1713+
MFCD02182896
ZINC8914955

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Available files

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