Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK472014
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=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/c1-27-21(26)17-13-5-3-2-4-6-14(13)28-19(17)22-18(23)15-11-7-9-12(10-8-11)16(15)20(24)25/h7,9,11-12,15-16H,2-6,8,10H2,1H3,(H,22,23)(H,24,25)InChIKey
ZJKRRHWEUHXNHV-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(methoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC21H25NO5Sc12721(26)17135324614(13)2819(17)2218(23)15117912(10811)16(15)20(24)25h7911121516H26810H21H3(H2223)(H2425)
MFCD06060304
ZINC000102345299
ZINC000239439058
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