Vitas-M small molecule compound
(1S,5R)-3-[2-(3-hydroxy-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL538860
SMILES OC1=Nc2c(OC1)ccc(c2)C(=O)CN1C[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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c25-18(14-4-5-19-16(7-14)22-20(26)12-28-19)11-23-8-13-6-15(10-23)17-2-1-3-21(27)24(17)9-13/h1-5,7,13,15H,6,8-12H2,(H,22,26)/t13-,15+/m0/s1InChIKey
RPOPXSJHBBAGIE-DZGCQCFKSA-NSynonyms
(1S5R)3(2(3hydroxy2H14benzoxazin6yl)2oxoethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC21H21N3O4c2518(14451916(714)2220(26)122819)1123813615(1023)1721321(27)24(17)913h1571315H6812H2(H2226)t1315+m0s1
ZINC000085879545
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