Vitas-M small molecule compound
2-methylpropyl 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK704021
SMILES COc1cc(ccc1OCCC(C)C)C1NC(=S)NC(=C1C(=O)OCC(C)C)C
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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 C22H32N2O4S MW 420.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O4S/c1-13(2)9-10-27-17-8-7-16(11-18(17)26-6)20-19(15(5)23-22(29)24-20)21(25)28-12-14(3)4/h7-8,11,13-14,20H,9-10,12H2,1-6H3,(H2,23,24,29)InChIKey
PGYWLGGLEIISDY-UHFFFAOYSA-NSynonyms
2METHYLPROPYL4(3METHOXY4(3METHYLBUTOXY)PHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2methylpropyl4(3methoxy4(3methylbutoxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCCC(C)C)OC)C(=O)OCC(C)C
InChI=1SC22H32N2O4Sc113(2)91027178716(1118(17)266)2019(15(5)2322(29)2420)21(25)281214(3)4h7811131420H91012H216H3(H2232429)
MFCD04446350
ZINC000006307946
ZINC000006308025
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