Vitas-M small molecule compound

tert-butyl [4-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)butyl]carbamate

Catalog ID
STK570529
SMILES O=C(OC(C)(C)C)NCCCCc1nnc(o1)SCc1c(C)nc(nc1O)O

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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 C17H25N5O5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N5O5S/c1-10-11(13(23)20-14(24)19-10)9-28-16-22-21-12(26-16)7-5-6-8-18-15(25)27-17(2,3)4/h5-9H2,1-4H3,(H,18,25)(H2,19,20,23,24)
InChIKey
KDURDOMTBFHZLE-UHFFFAOYSA-N
Synonyms

CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)CCCCNC(=O)OC(C)(C)C
InChI=1SC17H25N5O5Sc11011(13(23)2014(24)1910)92816222112(2616)75681815(25)2717(23)4h59H214H3(H1825)(H219202324)
MFCD05738305
tertbutyl(4(5(((24dihydroxy6methylpyrimidin5yl)methyl)sulfanyl)134oxadiazol2yl)butyl)carbamate
TERTBUTYLN(4(5((6METHYL24DIOXO1HPYRIMIDIN5YL)METHYLSULFANYL)134OXADIAZOL2YL)BUTYL)CARBAMATE
ZINC000001900845
ZINC01900845
ZINC1900845

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.