Vitas-M small molecule compound
6'-amino-3'-butyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STL058599
SMILES CCCCc1[nH]nc2c1C1(CCC3OC1OC3)C(=C(O2)N)C#N
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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 C16H20N4O3 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3/c1-2-3-4-11-12-14(20-19-11)23-13(18)10(7-17)16(12)6-5-9-8-21-15(16)22-9/h9,15H,2-6,8,18H2,1H3,(H,19,20)InChIKey
ZIIRVNKLEOBBRV-UHFFFAOYSA-NSynonyms
(1S5R)6amino3butyl2H68dioxaspiro(bicyclo(321)octane44pyrano(23c)pyrazole)5carbonitrile
6amino3butyl2Hspiro(78dioxabicyclo(321)octane24pyrano(23c)pyrazole)5carbonitrile
6amino3butylspiro(2Hpyrano(23c)pyrazole4468dioxabicyclo(321)octane)5carbonitrile
CCCCc1(nH)nc2c1C1(CC(C@@H)3OC1OC3)C(=C(O2)N)C#N
CCCCc1(nH)nc2c1C1(CCC3OC1OC3)C(=C(O2)N)C#N
CCCCC1=C2C(=NN1)OC(=C(C23CCC4COC3O4)C#N)N
InChI=1SC16H20N4O3c1234111214(201911)2313(18)10(717)16(12)65982115(16)229h915H26818H21H3(H1920)
MFCD16555207
ZINC000100249633
ZINC000100249635
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