Vitas-M small molecule compound
1-(azepan-1-yl)-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butane-1,4-dione
Catalog ID
STL159987
SMILES O=C(N1CCN(CC1)c1nsc2c1cccc2)CCC(=O)N1CCCCCC1
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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c26-19(23-11-5-1-2-6-12-23)9-10-20(27)24-13-15-25(16-14-24)21-17-7-3-4-8-18(17)28-22-21/h3-4,7-8H,1-2,5-6,9-16H2InChIKey
OVVDCPNJNMEEBX-UHFFFAOYSA-NSynonyms
1282115-69-81(azepan1yl)4(4(12benzothiazol3yl)piperazin1yl)butane14dione
1(azepan1yl)4(4(benzo(d)isothiazol3yl)piperazin1yl)butane14dione
1282115698
C1CCCN(CC1)C(=O)CCC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC21H28N4O2Sc2619(231151261223)91020(27)24131525(161424)2117734818(17)282221h3478H1256916H2
MFCD18799213
ZINC000061720742
ZINC61720742
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