Vitas-M small molecule compound
6-(4-butoxy-3-ethoxyphenyl)-4-methyl-N-(4-methylphenyl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Catalog ID
STK117865
SMILES CCCCOc1ccc(cc1OCC)C1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)S
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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 C25H31N3O3S MW 453.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3S/c1-5-7-14-31-20-13-10-18(15-21(20)30-6-2)23-22(17(4)26-25(32)28-23)24(29)27-19-11-8-16(3)9-12-19/h8-13,15,23H,5-7,14H2,1-4H3,(H,27,29)(H2,26,28,32)InChIKey
VZJWMWSHTCKURJ-UHFFFAOYSA-NSynonyms
4(4BUTOXY3ETHOXYPHENYL)6METHYLN(4METHYLPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
6(4BUTOXY3ETHOXYPHENYL)4METHYLN(4METHYLPHENYL)2SULFANYL16DIHYDROPYRIMIDINE5CARBOXAMIDE
CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C)OCC
InChI=1SC25H31N3O3Sc157143120131018(1521(20)3062)2322(17(4)2625(32)2823)24(29)271911816(3)91219h8131523H5714H214H3(H2729)(H2262832)
MFCD03995267
ZINC000018093840
ZINC000018093842
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