Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192674
SMILES COc1cc(ccc1c1ccc(o1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br)[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)6-8-16(19)18-9-7-15(32-18)11-17-20(27)24-22(33)25(21(17)28)13-4-2-12(23)3-5-13/h2-11H,1H3,(H,24,27,33)/b17-11-InChIKey
HVVBVUJITAXNHW-BOPFTXTBSA-NSynonyms
(5Z)1(4BROMOPHENYL)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4BROMOPHENYL)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
COc1cc(ccc1c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br)(N+)(=O)(O)
InChI=1SC22H14BrN3O6Sc131191014(26(29)30)6816(19)189715(3218)111720(27)2422(33)25(21(17)28)134212(23)3513h211H1H3(H242733)b1711
MFCD04540118
ZINC000100195236
ZINC100195236
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