Vitas-M small molecule compound
methyl 2-[({4-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl}carbonyl)amino]benzoate
Catalog ID
STL181536
SMILES COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)OC)OC1CCCC1
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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 C26H29N3O5S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O5S/c1-15-22(24(30)28-19-11-7-6-10-18(19)25(31)33-3)23(29-26(35)27-15)16-12-13-20(21(14-16)32-2)34-17-8-4-5-9-17/h6-7,10-14,17,23H,4-5,8-9H2,1-3H3,(H,28,30)(H2,27,29,35)InChIKey
FOGDUFOESSSHNB-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3CCCC3)OC)C(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC26H29N3O5Sc11522(24(30)281911761018(19)25(31)333)23(2926(35)2715)16121320(21(1416)322)3417845917h6710141723H4589H213H3(H2830)(H2272935)
methyl2(((4(4(cyclopentyloxy)3methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidin5yl)carbonyl)amino)benzoate
METHYL2((4(4CYCLOPENTYLOXY3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBONYL)AMINO)BENZOATE
MFCD05996115
ZINC000001126887
ZINC000001126890
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