Vitas-M small molecule compound
methyl 4-{4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK756435
SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)OC)OCC(=O)N1CCCCCC1
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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 C22H29N3O5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S/c1-14-19(21(27)29-3)20(24-22(31)23-14)15-8-9-16(17(12-15)28-2)30-13-18(26)25-10-6-4-5-7-11-25/h8-9,12,20H,4-7,10-11,13H2,1-3H3,(H2,23,24,31)InChIKey
MNIYGGGDHXCWSC-UHFFFAOYSA-NSynonyms
5714-74-95714749
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C(=O)OC
InChI=1SC22H29N3O5Sc11419(21(27)293)20(2422(31)2314)158916(17(1215)282)301318(26)251064571125h891220H47101113H213H3(H2232431)
METHYL4(4(2(AZEPAN1YL)2OXOETHOXY)3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(4(2(azepan1yl)2oxoethoxy)3methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD01202739
ZINC000000713138
ZINC000000713139
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