Vitas-M small molecule compound
{[6-cyclopentyl-1-(furan-2-ylmethyl)-4-oxo-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Catalog ID
STK687174
SMILES N#CCSc1nc(=O)c2c(n1Cc1ccco1)NCN(C2)C1CCCC1
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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 C18H21N5O2S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O2S/c19-7-9-26-18-21-17(24)15-11-22(13-4-1-2-5-13)12-20-16(15)23(18)10-14-6-3-8-25-14/h3,6,8,13,20H,1-2,4-5,9-12H2InChIKey
UKKYPCNXHZISKD-UHFFFAOYSA-NSynonyms
((6cyclopentyl1(furan2ylmethyl)4oxo145678hexahydropyrimido(45d)pyrimidin2yl)sulfanyl)acetonitrile
2((6CYCLOPENTYL1(FURAN2YLMETHYL)4OXO78DIHYDRO5HPYRIMIDO(45D)PYRIMIDIN2YL)SULFANYL)ACETONITRILE
C1CCC(C1)N2CC3=C(NC2)N(C(=NC3=O)SCC#N)CC4=CC=CO4
InChI=1SC18H21N5O2Sc197926182117(24)151122(13412513)122016(15)23(18)10146382514h3681320H1245912H2
MFCD06617797
ZINC000004745243
ZINC4745243
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