Vitas-M small molecule compound

2-(acetylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid

Catalog ID
STK434339
SMILES CC(=O)Nc1sc2c(c1C(=O)O)CCCCCC2

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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 C13H17NO3S MW 267.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO3S/c1-8(15)14-12-11(13(16)17)9-6-4-2-3-5-7-10(9)18-12/h2-7H2,1H3,(H,14,15)(H,16,17)
InChIKey
AYFMQIUKTCXFLS-UHFFFAOYSA-N
Synonyms

2(acetylamino)456789hexahydrocycloocta(b)thiophene3carboxylicacid
2acetamido456789hexahydrocycloocta(b)thiophene3carboxylicacid
CC(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)O
InChI=1SC13H17NO3Sc18(15)141211(13(16)17)964235710(9)1812h27H21H3(H1415)(H1617)
MFCD03942699
ZINC000006562952
ZINC6562952

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.