Vitas-M small molecule compound
methyl 4-{2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK755489
SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccccc1OCC(=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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-14-18(20(26)27-2)19(23-21(29)22-14)15-9-5-6-10-16(15)28-13-17(25)24-11-7-3-4-8-12-24/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3,(H2,22,23,29)InChIKey
PMTLMFMMEPXHOP-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC(=O)N3CCCCCC3)C(=O)OC
InChI=1SC21H27N3O4Sc11418(20(26)272)19(2321(29)2214)159561016(15)281317(25)241173481224h5691019H34781113H212H3(H2222329)
METHYL4(2(2(AZEPAN1YL)2OXOETHOXY)PHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(2(2(azepan1yl)2oxoethoxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD00828210
ZINC000001058062
ZINC000001058065
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