Vitas-M small molecule compound
(5Z)-5-[3,5-dichloro-4-(prop-2-en-1-yloxy)benzylidene]-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192719
SMILES C=CCOc1c(Cl)cc(cc1Cl)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
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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 C21H16Cl2N2O4S MW 463.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O4S/c1-3-8-29-18-16(22)10-12(11-17(18)23)9-15-19(26)24-21(30)25(20(15)27)13-4-6-14(28-2)7-5-13/h3-7,9-11H,1,8H2,2H3,(H,24,26,30)/b15-9-InChIKey
BGKWFQYSZGICSC-DHDCSXOGSA-NSynonyms
(5Z)5((35DICHLORO4PROP2ENOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(35DICHLORO4(PROP2EN1YLOXY)BENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1c(Cl)cc(cc1Cl)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC=C)Cl)C(=O)NC2=S
InChI=1SC21H16Cl2N2O4Sc138291816(22)1012(1117(18)23)91519(26)2421(30)25(20(15)27)134614(282)7513h37911H18H22H3(H242630)b159
MFCD02629331
ZINC000006645200
ZINC06645200
ZINC6645200
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