Vitas-M small molecule compound
3-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK452785
SMILES CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1C2CCC(C1C(=O)O)O2
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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 C19H24N2O5S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N2O5S/c1-2-8-3-4-9-12(7-8)27-18(13(9)16(20)22)21-17(23)14-10-5-6-11(26-10)15(14)19(24)25/h8,10-11,14-15H,2-7H2,1H3,(H2,20,22)(H,21,23)(H,24,25)InChIKey
UKPBLLZEXQCOKU-UHFFFAOYSA-NSynonyms
2((3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC19H24N2O5Sc12834912(78)2718(13(9)16(20)22)2117(23)14105611(2610)15(14)19(24)25h810111415H27H21H3(H22022)(H2123)(H2425)
MFCD02607131
ZINC000239222131
ZINC000239222134
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