Vitas-M small molecule compound
(5Z)-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189983
SMILES COc1cc(ccc1c1ccc(o1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1)[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 C22H15N3O6S MW 449.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O6S/c1-30-19-11-14(25(28)29)7-9-16(19)18-10-8-15(31-18)12-17-20(26)23-22(32)24(21(17)27)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,26,32)/b17-12-InChIKey
GOQBXZRZDJIQSE-ATVHPVEESA-NSynonyms
(5Z)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(E)5((5(2methoxy4nitrophenyl)furan2yl)methylene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4
COc1cc(ccc1c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC22H15N3O6Sc130191114(25(28)29)7916(19)1810815(3118)121720(26)2322(32)24(21(17)27)135324613h212H1H3(H232632)b1712
MFCD06666487
ZINC000019877901
ZINC19877901
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