Vitas-M small molecule compound
(5E)-5-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK090066
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2OC)[N+](=O)[O-])C)/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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-5-8-23-20(27)16(19(26)22-21(23)31)10-14-9-12(2)24(13(14)3)17-7-6-15(25(28)29)11-18(17)30-4/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,31)/b16-10+InChIKey
SXWUIXJNZLLYQX-MHWRWJLKSA-NSynonyms
(5E)5((1(2METHOXY4NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(2METHOXY4NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2OC)(N+)(=O)(O))C)C1=O
CC1=CC(=C(N1C2=C(C=C(C=C2)(N+)(=O)(O))OC)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC21H20N4O5Sc1582320(27)16(19(26)2221(23)31)1014912(2)24(13(14)3)177615(25(28)29)1118(17)304h57911H18H224H3(H222631)b1610+
MFCD03249941
STK090066
ZINC000009260138
ZINC9260138
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