Vitas-M small molecule compound
4-({3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Catalog ID
STK080940
SMILES COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCC2
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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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-27-14-8-4-3-7-13(14)21-19(26)18-12-6-2-5-9-15(12)28-20(18)22-16(23)10-11-17(24)25/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)InChIKey
LPVHYCYSSVJVKH-UHFFFAOYSA-NSynonyms
4((3((2methoxyphenyl)carbamoyl)4567tetrahydro1benzothiophen2yl)amino)4oxobutanoicacid
COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)O
COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCC2
InChI=1SC20H22N2O5Sc12714843713(14)2119(26)1812625915(12)2820(18)2216(23)101117(24)25h3478H256911H21H3(H2126)(H2223)(H2425)
MFCD01989485
STK080940
ZINC000004671789
ZINC4671789
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