Vitas-M small molecule compound

N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide

Catalog ID
STL526532
SMILES O=c1cc(C)c(c(o1)C)C(=O)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C

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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 C18H21NO4 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4/c1-8-6-13(21)23-10(3)14(8)17(22)19-9(2)15-12(20)7-11-16(15)18(11,4)5/h6,11,16H,7H2,1-5H3,(H,19,22)/b15-9+/t11-,16-/m1/s1
InChIKey
MDGQZQOQALZQLQ-GHMXFTRZSA-N
Synonyms

~(N)((1~(Z))1((1~(S)5~(R))66dimethyl3oxo2bicyclo(310)hexanylidene)ethyl)24dimethyl6oxopyran3carboxamide
7078892
InChI=1SC18H21NO4c18613(21)2310(3)14(8)17(22)199(2)1512(20)71116(15)18(114)5h61116H7H215H3(H1922)b159+t1116m1s1
MFCD02926007
N((1Z)1((1R5S)66DIMETHYL3OXO4BICYCLO(310)HEXANYLIDENE)ETHYL)24DIMETHYL6OXOPYRAN3CARBOXAMIDE
N((1Z)1((1S5R)66dimethyl3oxobicyclo(310)hex2ylidene)ethyl)46dimethyl2oxo2Hpyran5carboxamide
N((Z)1((1S5R)66dimethyl3oxobicyclo(310)hexan2ylidene)ethyl)46dimethyl2oxo2Hpyran5carboxamide
O=c1cc(C)c(c(o1)C)C(=O)NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
ZINC000100745855
ZINC100745855

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Available files

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