Vitas-M small molecule compound
ethyl 4-(3,4-dimethoxyphenyl)-2-{[(E)-(2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino}thiophene-3-carboxylate
Catalog ID
STK047452
SMILES CCOC(=O)c1c(/N=C/C2C(=O)NC(=O)NC2=O)scc1c1ccc(c(c1)OC)OC
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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 C20H19N3O7S MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O7S/c1-4-30-19(26)15-12(10-5-6-13(28-2)14(7-10)29-3)9-31-18(15)21-8-11-16(24)22-20(27)23-17(11)25/h5-9,11H,4H2,1-3H3,(H2,22,23,24,25,27)/b21-8+InChIKey
OMTGRSZQGCQFCZ-ODCIPOBUSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)N=CC3C(=O)NC(=O)NC3=O
CCOC(=O)c1c(N=CC2C(=O)NC(=O)NC2=O)scc1c1ccc(c(c1)OC)OC
ETHYL4(34DIMETHOXYPHENYL)2(((E)(246TRIOXOHEXAHYDROPYRIMIDIN5YL)METHYLIDENE)AMINO)THIOPHENE3CARBOXYLATE
ethyl4(34dimethoxyphenyl)2((E)(246trioxo13diazinan5yl)methylideneamino)thiophene3carboxylate
InChI=1SC20H19N3O7Sc143019(26)1512(105613(282)14(710)293)93118(15)2181116(24)2220(27)2317(11)25h5911H4H213H3(H22223242527)b218+
MFCD03065688
STK047452
ZINC000101436774
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