Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192671
SMILES Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2ccccc2[N+](=O)[O-])/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 C21H12BrN3O5S MW 498.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrN3O5S/c22-12-5-7-13(8-6-12)24-20(27)16(19(26)23-21(24)31)11-14-9-10-18(30-14)15-3-1-2-4-17(15)25(28)29/h1-11H,(H,23,26,31)/b16-11-InChIKey
KMVXXOHLFUWTHN-WJDWOHSUSA-NSynonyms
6011-45-6(5Z)1(4BROMOPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4BROMOPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
6011456
Brc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O
C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br)(N+)(=O)(O)
InChI=1SC21H12BrN3O5Sc22125713(8612)2420(27)16(19(26)2321(24)31)111491018(3014)15312417(15)25(28)29h111H(H232631)b1611
MFCD02624322
ZINC000001206778
ZINC1206778
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