Vitas-M small molecule compound

3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)-3-(pyridin-4-yl)propanamide

Catalog ID
STL550740
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccncc1

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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 C25H26N4O5 MW 462.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5/c26-22(31)10-19(16-4-6-27-7-5-16)25-24(33)21(30)9-18(34-25)14-28-11-15-8-17(13-28)20-2-1-3-23(32)29(20)12-15/h1-7,9,15,17,19,33H,8,10-14H2,(H2,26,31)/t15-,17+,19?/m1/s1
InChIKey
AGTUGVGPAJRCMZ-GIAWROPOSA-N
Synonyms

129895728
3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3pyridin4ylpropanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(pyridin4yl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(pyridin4yl)propanamide
InChI=1SC25H26N4O5c2622(31)1019(1646277516)2524(33)21(30)918(3425)14281115817(1328)2021323(32)29(20)1215h17915171933H81014H2(H22631)t1517+19?m1s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccncc1
ZINC000524731506
ZINC000524731507

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Available files

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