Vitas-M small molecule compound
4-({3-[(3-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid
Catalog ID
STK470804
SMILES COc1cccc(c1)NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2
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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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-28-14-7-5-6-13(12-14)22-20(27)19-15-8-3-2-4-9-16(15)29-21(19)23-17(24)10-11-18(25)26/h5-7,12H,2-4,8-11H2,1H3,(H,22,27)(H,23,24)(H,25,26)InChIKey
XABNMMPEFJIHEE-UHFFFAOYSA-NSynonyms
4((3((3methoxyphenyl)carbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)4oxobutanoicacid
COC1=CC=CC(=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O
InChI=1SC21H24N2O5Sc1281475613(1214)2220(27)19158324916(15)2921(19)2317(24)101118(25)26h5712H24811H21H3(H2227)(H2324)(H2526)
MFCD06021349
ZINC000017090670
ZINC17090670
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