Vitas-M small molecule compound
(5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK564308
SMILES O=C1N=C(S)N(C(=O)/C/1=C\c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1
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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 C21H12ClN3O5S MW 453.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClN3O5S/c22-17-8-6-13(25(28)29)10-15(17)18-9-7-14(30-18)11-16-19(26)23-21(31)24(20(16)27)12-4-2-1-3-5-12/h1-11H,(H,23,26,31)/b16-11-InChIKey
LSSNIFHABSVFRH-WJDWOHSUSA-NSynonyms
(5Z)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((5(2chloro5nitrophenyl)furan2yl)methylidene)1phenyl2sulfanylpyrimidine46(1H5H)dione
InChI=1SC21H12ClN3O5Sc22178613(25(28)29)1015(17)189714(3018)111619(26)2321(31)24(20(16)27)124213512h111H(H232631)b1611
MFCD03799804
O=C1N=C(S)N(C(=O)C1=Cc1ccc(o1)c1cc(ccc1Cl)(N+)(=O)(O))c1ccccc1
ZINC000017123536
ZINC17123536
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