Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK418791
SMILES CCOC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-2-27-21(26)17-13-6-4-3-5-7-14(13)28-19(17)22-18(23)15-11-8-9-12(10-11)16(15)20(24)25/h8-9,11-12,15-16H,2-7,10H2,1H3,(H,22,23)(H,24,25)InChIKey
LWEQYPUQHXGNHP-UHFFFAOYSA-NSynonyms
500110-73-62((3ethoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(ethoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
500110736
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H25NO5Sc122721(26)17136435714(13)2819(17)2218(23)15118912(1011)16(15)20(24)25h8911121516H2710H21H3(H2223)(H2425)
MFCD01353310
ZINC000004611979
ZINC000101391550
ZINC000239339221
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