Vitas-M small molecule compound
(5Z)-5-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methylidene)-1-(4-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK832690
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NC(CO)(CO)CO)/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 C17H21N3O7 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O7/c1-2-27-12-5-3-11(4-6-12)20-15(25)13(14(24)19-16(20)26)7-18-17(8-21,9-22)10-23/h3-7,18,21-23H,2,8-10H2,1H3,(H,19,24,26)/b13-7-InChIKey
RQDBCASJLZWDCI-QPEQYQDCSA-NSynonyms
(5Z)5(((13DIHYDROXY2(HYDROXYMETHYL)PROPAN2YL)AMINO)METHYLIDENE)1(4ETHOXYPHENYL)13DIAZINANE246TRIONE
(5Z)5(((13dihydroxy2(hydroxymethyl)propan2yl)amino)methylidene)1(4ethoxyphenyl)pyrimidine246(1H3H5H)trione
(Z)5(((13dihydroxy2(hydroxymethyl)propan2yl)amino)methylene)1(4ethoxyphenyl)pyrimidine246(1H3H5H)trione
CCOC1=CC=C(C=C1)N2C(=O)C(=CNC(CO)(CO)CO)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=CNC(CO)(CO)CO)C1=O
InChI=1SC17H21N3O7c1227125311(4612)2015(25)13(14(24)1916(20)26)71817(821922)1023h37182123H2810H21H3(H192426)b137
MFCD01216992
ZINC000005900466
ZINC05900466
ZINC5900466
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