Vitas-M small molecule compound
3-({[5-(butan-2-yl)-4,6-dihydroxypyrimidin-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
STL529168
SMILES CCC(c1c(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/c1-3-12(2)18-19(28)22-21(23-20(18)29)30-11-17(27)24-8-13-7-14(10-24)15-5-4-6-16(26)25(15)9-13/h4-6,12-14H,3,7-11H2,1-2H3,(H2,22,23,28,29)InChIKey
QGOFAJNZBOKJRV-UHFFFAOYSA-NSynonyms
11(2((5butan2yl4hydroxy6oxo1~(H)pyrimidin2yl)sulfanyl)acetyl)711diazatricyclo(7310^(27))trideca24dien6one
3(((5(butan2yl)46dihydroxypyrimidin2yl)sulfanyl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
4978832
InChI=1SC21H26N4O4Sc1312(2)1819(28)2221(2320(18)29)301117(27)24813714(1024)1554616(26)25(15)913h461214H3711H212H3(H222232829)
MFCD05725829
ZINC000015958247
ZINC000015958248
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