Vitas-M small molecule compound
(5E)-5-[3-chloro-4-(propan-2-yloxy)benzylidene]-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190160
SMILES CC(Oc1ccc(cc1Cl)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F)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 C20H16ClFN2O3S MW 418.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN2O3S/c1-11(2)27-17-7-6-12(9-16(17)21)8-15-18(25)23-20(28)24(19(15)26)14-5-3-4-13(22)10-14/h3-11H,1-2H3,(H,23,25,28)/b15-8+InChIKey
DOYAXDBVTLDCCV-OVCLIPMQSA-NSynonyms
(5E)5((3CHLORO4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3CHLORO4(PROPAN2YLOXY)BENZYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)Cl
CC(Oc1ccc(cc1Cl)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F)C
InChI=1SC20H16ClFN2O3Sc111(2)27177612(916(17)21)81518(25)2320(28)24(19(15)26)1453413(22)1014h311H12H3(H232528)b158+
MFCD03697009
ZINC000000981370
ZINC00981370
ZINC981370
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