Vitas-M small molecule compound
(5Z)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191655
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)/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 C18H12ClN3O5S MW 417.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O5S/c1-2-7-21-17(24)12(16(23)20-18(21)28)9-11-4-6-15(27-11)10-3-5-13(19)14(8-10)22(25)26/h2-6,8-9H,1,7H2,(H,20,23,28)/b12-9-InChIKey
UHEJSKCJAJNTOQ-XFXZXTDPSA-NSynonyms
(5Z)5((5(4CHLORO3NITROPHENYL)FURAN2YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((5(4CHLORO3NITROPHENYL)FURAN2YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))Cl)C1=O
InChI=1SC18H12ClN3O5Sc1272117(24)12(16(23)2018(21)28)9114615(2711)103513(19)14(810)22(25)26h2689H17H2(H202328)b129
MFCD02628819
ZINC000012343703
ZINC12343703
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