Vitas-M small molecule compound
4-chloro-6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STL318125
SMILES CCOC(=O)c1c(NC(=O)C2CC(=CCC2C(=O)O)Cl)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 C20H24ClNO5S MW 425.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClNO5S/c1-2-27-20(26)16-13-6-4-3-5-7-15(13)28-18(16)22-17(23)14-10-11(21)8-9-12(14)19(24)25/h8,12,14H,2-7,9-10H2,1H3,(H,22,23)(H,24,25)InChIKey
AGNVPCNTOKYBED-UHFFFAOYSA-NSynonyms
372152-29-9372152299
4chloro6((3(ethoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
4chloro6((3(ethoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)cyclohex3enecarboxylicacid
4chloro6((3ethoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CC(=CCC3C(=O)O)Cl
InChI=1SC20H24ClNO5Sc122720(26)16136435715(13)2818(16)2217(23)141011(21)8912(14)19(24)25h81214H27910H21H3(H2223)(H2425)
MFCD01878047
ZINC000001177920
ZINC000004229225
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