Vitas-M small molecule compound
3-({[4,6-dihydroxy-5-(2-methylpropyl)pyrimidin-2-yl]sulfanyl}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL529355
SMILES CC(Cc1c(O)nc(nc1O)SCC(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-12(2)6-15-19(28)22-21(23-20(15)29)30-11-18(27)24-8-13-7-14(10-24)16-4-3-5-17(26)25(16)9-13/h3-5,12-14H,6-11H2,1-2H3,(H2,22,23,28,29)InChIKey
ATPIYBAKXRKNEJ-UHFFFAOYSA-NSynonyms
11(2((4hydroxy5(2methylpropyl)6oxo1~(H)pyrimidin2yl)sulfanyl)acetyl)711diazatricyclo(7310^(27))trideca24dien6one
3(((46dihydroxy5(2methylpropyl)pyrimidin2yl)sulfanyl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
3704142
InChI=1SC21H26N4O4Sc112(2)61519(28)2221(2320(15)29)301118(27)24813714(1024)1643517(26)25(16)913h351214H611H212H3(H222232829)
MFCD05729428
ZINC000016033407
Check stock
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Check stock on Vitas-MAvailable files
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