Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL148042
SMILES COc1cc(ccc1c1ccc(o1)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)Br)S)[N+](=O)[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 C22H14BrN3O6S MW 528.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O6S/c1-31-19-10-14(26(29)30)5-7-16(19)18-8-6-15(32-18)11-17-20(27)24-22(33)25(21(17)28)13-4-2-3-12(23)9-13/h2-11H,1H3,(H,24,27,33)/b17-11+InChIKey
VZVKQWQZOSPMTO-GZTJUZNOSA-NSynonyms
(5E)1(3BROMOPHENYL)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3bromophenyl)5((5(2methoxy4nitrophenyl)furan2yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
COc1cc(ccc1c1ccc(o1)C=C1C(=O)N=C(N(C1=O)c1cccc(c1)Br)S)(N+)(=O)(O)
InChI=1SC22H14BrN3O6Sc131191014(26(29)30)5716(19)188615(3218)111720(27)2422(33)25(21(17)28)1342312(23)913h211H1H3(H242733)b1711+
MFCD03810231
ZINC000101737855
ZINC101737855
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