Vitas-M small molecule compound
6'-amino-3'-propyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STK787233
SMILES CCCc1[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 C15H18N4O3 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O3/c1-2-3-10-11-13(19-18-10)22-12(17)9(6-16)15(11)5-4-8-7-20-14(15)21-8/h8,14H,2-5,7,17H2,1H3,(H,18,19)InChIKey
OFMOODVUJLVUEI-UHFFFAOYSA-NSynonyms
(1S5R)6amino3propyl2H68dioxaspiro(bicyclo(321)octane44pyrano(23c)pyrazole)5carbonitrile
6amino3propyl2Hspiro(78dioxabicyclo(321)octane24pyrano(23c)pyrazole)5carbonitrile
6amino3propylspiro(2Hpyrano(23c)pyrazole4468dioxabicyclo(321)octane)5carbonitrile
CCCc1(nH)nc2c1C1(CC(C@@H)3OC1OC3)C(=C(O2)N)C#N
CCCc1(nH)nc2c1C1(CCC3OC1OC3)C(=C(O2)N)C#N
CCCC1=C2C(=NN1)OC(=C(C23CCC4COC3O4)C#N)N
InChI=1SC15H18N4O3c123101113(191810)2212(17)9(616)15(11)54872014(15)218h814H25717H21H3(H1819)
MFCD10038293
ZINC000100249626
ZINC000100249628
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