Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)propanamide

Catalog ID
STL549118
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)OCCO2

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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 C28H29N3O7 MW 519.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O7/c29-25(33)11-20(17-4-5-23-24(9-17)37-7-6-36-23)28-27(35)22(32)10-19(38-28)15-30-12-16-8-18(14-30)21-2-1-3-26(34)31(21)13-16/h1-5,9-10,16,18,20,35H,6-8,11-15H2,(H2,29,33)/t16-,18+,20?/m0/s1
InChIKey
CZWAPYJCSUJWSF-HYJPWMOMSA-N
Synonyms

3(23dihydro14benzodioxin6yl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanamide
3(23dihydrobenzo(b)(14)dioxin6yl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanamide
InChI=1SC28H29N3O7c2925(33)1120(17452324(917)37763623)2827(35)22(32)1019(3828)15301216818(1430)2121326(34)31(21)1316h1591016182035H681115H2(H22933)t1618+20?m0s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)OCCO2
ZINC000524730940
ZINC000524730941

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Available files

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