Vitas-M small molecule compound
(5E)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188223
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2OC)[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 C19H15N3O6S MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S/c1-3-8-21-18(24)14(17(23)20-19(21)29)10-12-5-7-16(28-12)13-9-11(22(25)26)4-6-15(13)27-2/h3-7,9-10H,1,8H2,2H3,(H,20,23,29)/b14-10+InChIKey
ORBZKOOTTLKGNI-GXDHUFHOSA-NSynonyms
(5E)5((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2OC)(N+)(=O)(O))C1=O
COC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC19H15N3O6Sc1382118(24)14(17(23)2019(21)29)10125716(2812)13911(22(25)26)4615(13)272h37910H18H22H3(H202329)b1410+
MFCD03060403
ZINC000001153178
ZINC1153178
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