Vitas-M small molecule compound
3-{[6-methyl-3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK470968
SMILES CC1CCc2c(C1)sc(c2C(=O)N1CCOCC1)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C23H28N2O5S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O5S/c1-12-2-5-15-16(10-12)31-21(19(15)22(27)25-6-8-30-9-7-25)24-20(26)17-13-3-4-14(11-13)18(17)23(28)29/h3-4,12-14,17-18H,2,5-11H2,1H3,(H,24,26)(H,28,29)InChIKey
YISSZKJLHMMHPU-UHFFFAOYSA-NSynonyms
2((6methyl3(morpholine4carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((6methyl3(morpholin4ylcarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC1CCC2=C(C1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC23H28N2O5Sc112251516(1012)3121(19(15)22(27)2568309725)2420(26)17133414(1113)18(17)23(28)29h3412141718H2511H21H3(H2426)(H2829)
MFCD06021226
ZINC000102340367
ZINC000239433713
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