Vitas-M small molecule compound

3-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK419274
SMILES CCOC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCC(C2)C(C)(C)C

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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 C24H31NO5S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5S/c1-5-30-23(29)19-15-9-8-14(24(2,3)4)11-16(15)31-21(19)25-20(26)17-12-6-7-13(10-12)18(17)22(27)28/h6-7,12-14,17-18H,5,8-11H2,1-4H3,(H,25,26)(H,27,28)
InChIKey
CRXDHJKXZWBNDQ-UHFFFAOYSA-N
Synonyms
357932-83-3
2((6tertbutyl3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((6tertbutyl3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
357932833
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC24H31NO5Sc153023(29)19159814(24(23)4)1116(15)3121(19)2520(26)17126713(1012)18(17)22(27)28h6712141718H5811H214H3(H2526)(H2728)
MFCD01355751
ZINC000100631407
ZINC000239287401

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Available files

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