Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-bromobenzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187402
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2ccccc2)/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 C21H17BrN2O3S MW 457.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O3S/c1-2-10-24-20(26)16(19(25)23-21(24)28)11-15-8-9-18(17(22)12-15)27-13-14-6-4-3-5-7-14/h2-9,11-12H,1,10,13H2,(H,23,25,28)/b16-11+InChIKey
OBUMEKDSVCZZCZ-LFIBNONCSA-NSynonyms
(5E)5((3BROMO4PHENYLMETHOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4(BENZYLOXY)3BROMOBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccccc2)C1=O
InChI=1SC21H17BrN2O3Sc12102420(26)16(19(25)2321(24)28)11158918(17(22)1215)2713146435714h291112H11013H2(H232528)b1611+
MFCD03271876
ZINC000001012756
ZINC01012756
ZINC1012756
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