Vitas-M small molecule compound

(5E)-5-[3-bromo-4-(prop-2-en-1-yloxy)benzylidene]-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK066078
SMILES C=CCOc1ccc(cc1Br)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)OCC

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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 C22H19BrN2O4S MW 487.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O4S/c1-3-10-29-19-9-8-14(12-18(19)23)11-17-20(26)24-22(30)25(21(17)27)15-6-5-7-16(13-15)28-4-2/h3,5-9,11-13H,1,4,10H2,2H3,(H,24,26,30)/b17-11+
InChIKey
RMUZBNDVTJRRQU-GZTJUZNOSA-N
Synonyms

(5E)5((3BROMO4PROP2ENOXYPHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3BROMO4(PROP2EN1YLOXY)BENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((3BROMO4PROP2ENYLOXYPHENYL)METHYLENE)1(3ETHOXYPHENYL)2THIOXO13DIHYDROPYRIMIDINE46DIONE
C=CCOc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)OCC
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)Br)C(=O)NC2=S
InChI=1SC22H19BrN2O4Sc131029199814(1218(19)23)111720(26)2422(30)25(21(17)27)1565716(1315)2842h3591113H1410H22H3(H242630)b1711+
MFCD02044571
STK066078
ZINC000002063511
ZINC02063511
ZINC2063511

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Available files

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