Vitas-M small molecule compound
5-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK076725
SMILES CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCc1ccc(cc1)Cl)CC=C
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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 C23H21ClN2O4S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O4S/c1-3-5-16-10-15(11-18-21(27)25-23(31)26-22(18)28)12-19(29-4-2)20(16)30-13-14-6-8-17(24)9-7-14/h3,6-12H,1,4-5,13H2,2H3,(H2,25,26,27,28,31)InChIKey
DAVUVYBSOOTFQL-UHFFFAOYSA-NSynonyms
5((4((4CHLOROPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(4((4CHLOROBENZYL)OXY)3ETHOXY5(PROP2EN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=C3C(=O)NC(=S)NC3=O
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCc1ccc(cc1)Cl)CC=C
InChI=1SC23H21ClN2O4Sc135161015(111821(27)2523(31)2622(18)28)1219(2942)20(16)3013146817(24)9714h3612H14513H22H3(H22526272831)
MFCD04126475
STK076725
ZINC000009659817
ZINC09659817
ZINC9659817
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