Vitas-M small molecule compound
N-cyclohexyl-2-{[3-(furan-2-ylmethyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-methylacetamide
Catalog ID
STL093296
SMILES O=C(N(C1CCCCC1)C)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)C
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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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-14-11-17-19(22-14)20(27)25(12-16-9-6-10-28-16)21(23-17)29-13-18(26)24(2)15-7-4-3-5-8-15/h6,9-11,15,22H,3-5,7-8,12-13H2,1-2H3InChIKey
LCJOTYRDAGAYJF-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N(C)C3CCCCC3)CC4=CC=CO4
InChI=1SC21H26N4O3Sc114111719(2214)20(27)25(121696102816)21(2317)291318(26)24(2)157435815h69111522H35781213H212H3
MFCD18787430
Ncyclohexyl2((3(furan2ylmethyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)Nmethylacetamide
Ncyclohexyl2((3(furan2ylmethyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)Nmethylacetamide
ZINC000067236360
ZINC67236360
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