Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-[3-methoxy-2-(propan-2-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL416421
SMILES COc1cccc(c1OC(C)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
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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)28-18-13(6-4-9-17(18)27-3)10-16-19(25)23-21(29)24(20(16)26)15-8-5-7-14(22)11-15/h4-12H,1-3H3,(H,23,25,29)/b16-10+InChIKey
VGOOBTRGZXHIOR-MHWRWJLKSA-NSynonyms
(5E)1(3BROMOPHENYL)5((3METHOXY2PROPAN2YLOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3bromophenyl)5(3methoxy2(propan2yloxy)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
CC(C)OC1=C(C=CC=C1OC)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br
COc1cccc(c1OC(C)C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC21H19BrN2O4Sc112(2)281813(64917(18)273)101619(25)2321(29)24(20(16)26)1585714(22)1115h412H13H3(H232529)b1610+
MFCD03698805
ZINC000009260402
ZINC09260402
ZINC9260402
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