Vitas-M small molecule compound

6-({6-methyl-3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK418560
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)C1CC=CCC1C(=O)O

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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 C21H27NO5S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S/c1-11(2)27-21(26)17-15-9-8-12(3)10-16(15)28-19(17)22-18(23)13-6-4-5-7-14(13)20(24)25/h4-5,11-14H,6-10H2,1-3H3,(H,22,23)(H,24,25)
InChIKey
AEKZUEJIEWTYSI-UHFFFAOYSA-N
Synonyms

6((6methyl3((propan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((6methyl3propan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC21H27NO5Sc111(2)2721(26)17159812(3)1016(15)2819(17)2218(23)13645714(13)20(24)25h451114H610H213H3(H2223)(H2425)
MFCD01835302
ZINC000004613826
ZINC000169619734

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Available files

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