Vitas-M small molecule compound
1-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-6-(pyrimidin-2-ylamino)hexan-1-one
Catalog ID
STL318902
SMILES O=C(N1CCN(CC1)C1CCS(=O)(=O)C1)CCCCCNc1ncccn1
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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 C18H29N5O3S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29N5O3S/c24-17(5-2-1-3-7-19-18-20-8-4-9-21-18)23-12-10-22(11-13-23)16-6-14-27(25,26)15-16/h4,8-9,16H,1-3,5-7,10-15H2,(H,19,20,21)InChIKey
CIMMTOSOMIHXES-UHFFFAOYSA-NSynonyms
1401576-21-31(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)6(pyrimidin2ylamino)hexan1one
1(4(11dioxothiolan3yl)piperazin1yl)6(pyrimidin2ylamino)hexan1one
1401576213
C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)CCCCCNC3=NC=CC=N3
InChI=1SC18H29N5O3Sc2417(521371918208492118)23121022(111323)1661427(2526)1516h48916H13571015H2(H192021)
MFCD22586163
ZINC000079501388
ZINC000095479668
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