Vitas-M small molecule compound
(5Z)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196983
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(c(c2)Br)OC(C)C)/C1=O
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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 C21H19BrN2O4S MW 475.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4S/c1-12(2)28-18-9-4-13(11-17(18)22)10-16-19(25)23-21(29)24(20(16)26)14-5-7-15(27-3)8-6-14/h4-12H,1-3H3,(H,23,25,29)/b16-10-InChIKey
RFOAKWNFEPVIMH-YBEGLDIGSA-NSynonyms
(5Z)5((3BROMO4PROPAN2YLOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO4(PROPAN2YLOXY)BENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC)Br
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)Br)OC(C)C)C1=O
InChI=1SC21H19BrN2O4Sc112(2)28189413(1117(18)22)101619(25)2321(29)24(20(16)26)145715(273)8614h412H13H3(H232529)b1610
MFCD06666497
ZINC000000661037
ZINC00661037
ZINC661037
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