Vitas-M small molecule compound
5-[4-(butan-2-yloxy)-3-chloro-5-methoxybenzylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188104
SMILES CCC(Oc1c(Cl)cc(cc1OC)C=C1C(=O)N(C)C(=S)N(C1=O)C)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 C18H21ClN2O4S MW 396.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN2O4S/c1-6-10(2)25-15-13(19)8-11(9-14(15)24-5)7-12-16(22)20(3)18(26)21(4)17(12)23/h7-10H,6H2,1-5H3InChIKey
XEMLRJPTMQWYGU-UHFFFAOYSA-NSynonyms
5((4BUTAN2YLOXY3CHLORO5METHOXYPHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(4((2R)BUTAN2YLOXY)3CHLORO5METHOXYBENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(4((2S)BUTAN2YLOXY)3CHLORO5METHOXYBENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(4(BUTAN2YLOXY)3CHLORO5METHOXYBENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=S)N(C2=O)C)C)OC
InChI=1SC18H21ClN2O4Sc1610(2)251513(19)811(914(15)245)71216(22)20(3)18(26)21(4)17(12)23h710H6H215H3
MFCD03062916
ZINC000001153121
ZINC000001153122
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