Vitas-M small molecule compound

N-(pyrimidin-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Catalog ID
STK464360
SMILES O=C(c1sc2c(c1)CCCCCC2)Nc1ncccn1

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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 C15H17N3OS MW 287.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3OS/c19-14(18-15-16-8-5-9-17-15)13-10-11-6-3-1-2-4-7-12(11)20-13/h5,8-10H,1-4,6-7H2,(H,16,17,18,19)
InChIKey
JXBYLGDAQBTRCU-UHFFFAOYSA-N
Synonyms

C1CCCC2=C(CC1)C=C(S2)C(=O)NC3=NC=CC=N3
InChI=1SC15H17N3OSc1914(1815168591715)13101163124712(11)2013h5810H1467H2(H16171819)
MFCD06624905
N(pyrimidin2yl)456789hexahydrocycloocta(b)thiophene2carboxamide
Npyrimidin2yl456789hexahydrocycloocta(b)thiophene2carboxamide
ZINC000001054925
ZINC01054925
ZINC1054925

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Available files

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