Vitas-M small molecule compound
tert-butyl [1-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
Catalog ID
STL048323
SMILES O=C(OC(C)(C)C)NC(c1nnc(o1)SCc1c(C)nc(nc1O)O)Cc1ccccc1
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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 C21H25N5O5S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O5S/c1-12-14(16(27)24-18(28)22-12)11-32-20-26-25-17(30-20)15(10-13-8-6-5-7-9-13)23-19(29)31-21(2,3)4/h5-9,15H,10-11H2,1-4H3,(H,23,29)(H2,22,24,27,28)InChIKey
FBIBNFFGUMRJIT-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI=1SC21H25N5O5Sc11214(16(27)2418(28)2212)113220262517(3020)15(10138657913)2319(29)3121(23)4h5915H1011H214H3(H2329)(H222242728)
MFCD18192588
tertbutyl(1(5(((24dihydroxy6methylpyrimidin5yl)methyl)sulfanyl)134oxadiazol2yl)2phenylethyl)carbamate
TERTBUTYLN(1(5((6METHYL24DIOXO1HPYRIMIDIN5YL)METHYLSULFANYL)134OXADIAZOL2YL)2PHENYLETHYL)CARBAMATE
ZINC000001873872
ZINC000015974836
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