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-(thiophen-3-yl)propanamide

Catalog ID
STL550807
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccsc1

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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 C24H25N3O5S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5S/c25-21(29)8-18(15-4-5-33-13-15)24-23(31)20(28)7-17(32-24)12-26-9-14-6-16(11-26)19-2-1-3-22(30)27(19)10-14/h1-5,7,13-14,16,18,31H,6,8-12H2,(H2,25,29)/t14-,16+,18?/m1/s1
InChIKey
NGPUXHPSSRIOFV-HMZVSMPESA-N
Synonyms

129895410
3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3thiophen3ylpropanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(thiophen3yl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(thiophen3yl)propanamide
InChI=1SC24H25N3O5Sc2521(29)818(1545331315)2423(31)20(28)717(3224)1226914616(1126)1921322(30)27(19)1014h1571314161831H6812H2(H22529)t1416+18?m1s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccsc1
ZINC000524730558
ZINC000524730559

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Available files

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