Vitas-M small molecule compound
cyclohexyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407708
SMILES CC1=C(C(=O)OC2CCCCC2)[C@H]2C[C@](N1)(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 C20H25NO3 MW 327.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO3/c1-13-18(19(22)23-14-8-4-3-5-9-14)16-12-20(2,21-13)24-17-11-7-6-10-15(16)17/h6-7,10-11,14,16,21H,3-5,8-9,12H2,1-2H3/t16-,20-/m0/s1InChIKey
YUVXZYVLQAHIBD-JXFKEZNVSA-NSynonyms
CC1=C(C(=O)OC2CCCCC2)(C@H)2C(C@)(N1)(C)Oc1c2cccc1
CC1=C(C2CC(N1)(OC3=CC=CC=C23)C)C(=O)OC4CCCCC4
cyclohexyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
InChI=1SC20H25NO3c11318(19(22)23148435914)161220(22113)241711761015(16)17h671011141621H358912H212H3t1620m0s1
MFCD13368861
ZINC000020375191
ZINC20375191
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