Vitas-M small molecule compound
4-({3-[(2-ethoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid
Catalog ID
STK054118
SMILES CCOc1ccccc1NC(=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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-2-29-16-10-7-6-9-15(16)23-21(28)20-14-8-4-3-5-11-17(14)30-22(20)24-18(25)12-13-19(26)27/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,27)InChIKey
BYUNIXCXMTZCHJ-UHFFFAOYSA-NSynonyms
312950-28-0312950280
4((3((2ethoxyphenyl)carbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)4oxobutanoicacid
CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O
CCOc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2
InChI=1SC22H26N2O5Sc1229161076915(16)2321(28)201484351117(14)3022(20)2418(25)121319(26)27h67910H2581113H21H3(H2328)(H2425)(H2627)
MFCD01825490
STK054118
ZINC000000709600
ZINC709600
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