Vitas-M small molecule compound
5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187939
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-22-19(25)16(20(26)23(2)21(22)31)10-14-6-9-17(18(11-14)29-3)30-12-13-4-7-15(8-5-13)24(27)28/h4-11H,12H2,1-3H3InChIKey
FQHVOGQTYIFFTQ-UHFFFAOYSA-NSynonyms
5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(3METHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))OC)C(=O)N(C1=S)C
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC21H19N3O6Sc12219(25)16(20(26)23(2)21(22)31)10146917(18(1114)293)3012134715(8513)24(27)28h411H12H213H3
MFCD02624209
ZINC000001176681
ZINC01176681
ZINC1176681
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