Vitas-M small molecule compound
3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-{2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}propanamide
Catalog ID
STL579240
SMILES COc1ccc2n(n1)c(CCC(=O)NCCN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)nn2
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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 C22H27N7O3 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O3/c1-32-21-8-6-19-25-24-18(29(19)26-21)5-7-20(30)23-9-10-27-12-15-11-16(14-27)17-3-2-4-22(31)28(17)13-15/h2-4,6,8,15-16H,5,7,9-14H2,1H3,(H,23,30)/t15-,16+/m1/s1InChIKey
WADHFAMXLNWJRR-CVEARBPZSA-NSynonyms
3(6methoxy(124)triazolo(43b)pyridazin3yl)N(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)propanamide
3(6methoxy(124)triazolo(43b)pyridazin3yl)N(2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)propanamide
COc1ccc2n(n1)c(CCC(=O)NCCN1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)nn2
InChI=1SC22H27N7O3c132218619252418(29(19)2621)5720(30)239102712151116(1427)1732422(31)28(17)1315h24681516H57914H21H3(H2330)t1516+m1s1
MFCD33397575
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