Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374351
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])c1cccc(c1Cl)Cl
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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 C21H11Cl2N3O5S MW 488.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11Cl2N3O5S/c22-15-2-1-3-16(18(15)23)25-20(28)14(19(27)24-21(25)32)10-13-8-9-17(31-13)11-4-6-12(7-5-11)26(29)30/h1-10H,(H,24,27,32)/b14-10+InChIKey
QCBOGXWOFQEXFO-GXDHUFHOSA-NSynonyms
(5E)1(23DICHLOROPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(23dichlorophenyl)5((5(4nitrophenyl)furan2yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
1(23DICHLOROPHENYL)5((5(4NITROPHENYL)(2FURYL))METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S
InChI=1SC21H11Cl2N3O5Sc221521316(18(15)23)2520(28)14(19(27)2421(25)32)10138917(3113)114612(7511)26(29)30h110H(H242732)b1410+
MFCD03031960
O=C1NC(=S)N(C(=O)C1=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))c1cccc(c1Cl)Cl
ZINC000001172628
ZINC1172628
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