Vitas-M small molecule compound
(2R,6R)-2-methyl-4-oxo-N-phenyl-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL527531
SMILES C=CCN1C(=O)C(C(=O)Nc2ccccc2)[C@H]2C[C@@]1(C)Oc1c2cccc1
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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 C22H22N2O3 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3/c1-3-13-24-21(26)19(20(25)23-15-9-5-4-6-10-15)17-14-22(24,2)27-18-12-8-7-11-16(17)18/h3-12,17,19H,1,13-14H2,2H3,(H,23,25)/t17-,19?,22-/m1/s1InChIKey
OPCBTWZIBXRBKH-MVPHGSNYSA-NSynonyms
(2R6R)2methyl4oxoNphenyl3(prop2en1yl)3456tetrahydro2H26methano13benzoxazocine5carboxamide
(2R6S)3allyl2methyl4oxoNphenyl3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
C=CCN1C(=O)C(C(=O)Nc2ccccc2)(C@H)2C(C@@)1(C)Oc1c2cccc1
InChI=1SC22H22N2O3c13132421(26)19(20(25)231595461015)171422(242)271812871116(17)18h3121719H11314H22H3(H2325)t1719?22m1s1
MFCD03659838
ZINC000100632494
ZINC000100748925
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