Vitas-M small molecule compound
8-methoxy-N-{6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridin-3-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STL538403
SMILES COc1cc(cc2c1OCCO2)C(=O)Nc1ccc(nc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C26H26N4O5 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5/c1-33-21-10-17(11-22-25(21)35-8-7-34-22)26(32)28-19-5-6-23(27-12-19)29-13-16-9-18(15-29)20-3-2-4-24(31)30(20)14-16/h2-6,10-12,16,18H,7-9,13-15H2,1H3,(H,28,32)/t16-,18+/m0/s1InChIKey
BJRDRSSDQQPRFB-FUHWJXTLSA-NSynonyms
8methoxyN(6((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)pyridin3yl)23dihydrobenzo(b)(14)dioxine6carboxamidehydrochloride
8methoxyN(6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pyridin3yl)23dihydro14benzodioxine6carboxamide
COc1cc(cc2c1OCCO2)C(=O)Nc1ccc(nc1)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1Cl
InChI=1SC26H26N4O5c133211017(112225(21)35873422)26(32)28195623(271219)291316918(1529)2032424(31)30(20)1416h2610121618H791315H21H3(H2832)t1618+m0s1
ZINC000072324522
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