Vitas-M small molecule compound
3-(6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid
Catalog ID
STK656269
SMILES OC(=O)CCc1nnc2n1nc(NCCC1=CCCCC1)cc2
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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 C16H21N5O2 MW 315.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5O2/c22-16(23)9-8-15-19-18-14-7-6-13(20-21(14)15)17-11-10-12-4-2-1-3-5-12/h4,6-7H,1-3,5,8-11H2,(H,17,20)(H,22,23)InChIKey
NEPFIWACLQHQGA-UHFFFAOYSA-NSynonyms
1144445-02-21144445022
3(6((2(cyclohex1en1yl)ethyl)amino)(124)triazolo(43b)pyridazin3yl)propanoicacid
3(6(2(cyclohexen1yl)ethylamino)(124)triazolo(43b)pyridazin3yl)propanoicacid
C1CCC(=CC1)CCNC2=NN3C(=NN=C3CCC(=O)O)C=C2
InChI=1SC16H21N5O2c2216(23)98151918147613(2021(14)15)171110124213512h467H135811H2(H1720)(H2223)
MFCD12216700
ZINC000032101754
ZINC32101754
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