Vitas-M small molecule compound
(2R,6R)-N,N-dibenzyl-2-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL527541
SMILES C=CCN1C(=O)C(C(=O)N(Cc2ccccc2)Cc2ccccc2)[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 C30H30N2O3 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O3/c1-3-18-32-29(34)27(25-19-30(32,2)35-26-17-11-10-16-24(25)26)28(33)31(20-22-12-6-4-7-13-22)21-23-14-8-5-9-15-23/h3-17,25,27H,1,18-21H2,2H3/t25-,27?,30-/m1/s1InChIKey
VAFWBYSCBKSCKY-KYEBUAFLSA-NSynonyms
(2R6R)NNdibenzyl2methyl4oxo3(prop2en1yl)3456tetrahydro2H26methano13benzoxazocine5carboxamide
(2R6S)3allylNNdibenzyl2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
C=CCN1C(=O)C(C(=O)N(Cc2ccccc2)Cc2ccccc2)(C@H)2C(C@@)1(C)Oc1c2cccc1
InChI=1SC30H30N2O3c13183229(34)27(251930(322)35261711101624(25)26)28(33)31(2022126471322)2123148591523h3172527H11821H22H3t2527?30m1s1
MFCD03659921
ZINC000100749031
ZINC000100749033
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