Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]acetamide
Catalog ID
STK477972
SMILES N#Cc1c(NC(=O)CN2CCN(CC2)C(=O)C2CCCO2)sc2c1CCCCC2
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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 C21H28N4O3S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S/c22-13-16-15-5-2-1-3-7-18(15)29-20(16)23-19(26)14-24-8-10-25(11-9-24)21(27)17-6-4-12-28-17/h17H,1-12,14H2,(H,23,26)InChIKey
PASOLOLOKZKNCQ-UHFFFAOYSA-NSynonyms
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(=O)C4CCCO4
InChI=1SC21H28N4O3Sc221316155213718(15)2920(16)2319(26)142481025(11924)21(27)1764122817h17H11214H2(H2326)
MFCD06056571
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(4(oxolane2carbonyl)piperazin1yl)acetamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(4(tetrahydrofuran2ylcarbonyl)piperazin1yl)acetamide
ZINC000035800914
ZINC000035800915
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