Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK441808
SMILES COC(=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 C20H23NO5S MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)InChIKey
QNCPGOIWERLDBR-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(methoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC20H23NO5Sc12620(25)16125324613(12)2718(16)2117(22)14107811(910)15(14)19(23)24h7810111415H269H21H3(H2122)(H2324)
MFCD01340924
ZINC000100548729
ZINC000240825130
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