Vitas-M small molecule compound
2-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-4-oxo-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Catalog ID
STL021446
SMILES CCOc1ccc(cc1OC)C1NC(=O)C(=C(N1c1ccc(cc1)OC)S)C#N
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-4-28-17-10-5-13(11-18(17)27-3)19-23-20(25)16(12-22)21(29)24(19)14-6-8-15(26-2)9-7-14/h5-11,19,29H,4H2,1-3H3,(H,23,25)InChIKey
NJLLDFWHGQSEIE-UHFFFAOYSA-NSynonyms
2(4ethoxy3methoxyphenyl)1(4methoxyphenyl)4oxo6sulfanyl1234tetrahydropyrimidine5carbonitrile
2(4ETHOXY3METHOXYPHENYL)3(4METHOXYPHENYL)6OXO4SULFANYL123TRIHYDROPYRIMIDINE5CARBONITRILE
2(4ETHOXY3METHOXYPHENYL)3(4METHOXYPHENYL)6OXO4SULFANYL12DIHYDROPYRIMIDINE5CARBONITRILE
CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)OC)S)C#N)OC
InChI=1SC21H21N3O4Sc14281710513(1118(17)273)192320(25)16(1222)21(29)24(19)146815(262)9714h5111929H4H213H3(H2325)
MFCD05668620
ZINC000000818308
ZINC000000818309
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