Vitas-M small molecule compound
4-[(3-methoxyphenyl)amino]-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-oxobutanoic acid
Catalog ID
STL246293
SMILES COc1cccc(c1)NC(=O)CC(C(=O)O)CN1CCCN(CC1)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 C18H27N3O4 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3O4/c1-20-7-4-8-21(10-9-20)13-14(18(23)24)11-17(22)19-15-5-3-6-16(12-15)25-2/h3,5-6,12,14H,4,7-11,13H2,1-2H3,(H,19,22)(H,23,24)InChIKey
QCCZPZFCAGZSKC-UHFFFAOYSA-NSynonyms
1351700-33-81351700338
4((3methoxyphenyl)amino)2((4methyl14diazepan1yl)methyl)4oxobutanoicacid
4(3methoxyanilino)2((4methyl14diazepan1yl)methyl)4oxobutanoicacid
CN1CCCN(CC1)CC(CC(=O)NC2=CC(=CC=C2)OC)C(=O)O
InChI=1SC18H27N3O4c12074821(10920)1314(18(23)24)1117(22)191553616(1215)252h3561214H471113H212H3(H1922)(H2324)
MFCD20536215
ZINC000072401044
ZINC000106810145
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