Vitas-M small molecule compound

3-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK466905
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCC2

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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 C17H18N2O4S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4S/c18-14(20)13-9-2-1-3-10(9)24-16(13)19-15(21)11-7-4-5-8(6-7)12(11)17(22)23/h4-5,7-8,11-12H,1-3,6H2,(H2,18,20)(H,19,21)(H,22,23)
InChIKey
IYLZVIBRIULOIL-UHFFFAOYSA-N
Synonyms

2((3carbamoyl56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3carbamoyl56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3CARBAMOYL456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC17H18N2O4Sc1814(20)13921310(9)2416(13)1915(21)117458(67)12(11)17(22)23h45781112H136H2(H21820)(H1921)(H2223)
MFCD06060151
ZINC000102329856
ZINC000239321951

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Available files

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