Vitas-M small molecule compound
(5E)-5-[3-bromo-4-(prop-2-yn-1-yloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187389
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)OCC#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 C17H13BrN2O3S MW 405.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O3S/c1-3-7-20-16(22)12(15(21)19-17(20)24)9-11-5-6-14(13(18)10-11)23-8-4-2/h2-3,5-6,9-10H,1,7-8H2,(H,19,21,24)/b12-9+InChIKey
WMZMMQRGWWZMGA-FMIVXFBMSA-NSynonyms
(5E)5((3BROMO4PROP2YNOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3BROMO4(PROP2YN1YLOXY)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)Br)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)Br)OCC#C)C1=O
InChI=1SC17H13BrN2O3Sc1372016(22)12(15(21)1917(20)24)9115614(13(18)1011)23842h2356910H178H2(H192124)b129+
MFCD03707191
ZINC000002995688
ZINC02995688
ZINC2995688
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