Vitas-M small molecule compound

Catalog ID
STK754446
SMILES O/N=C(/[C@H]1[C@@H](CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C)C([N+](=O)[O-])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 C25H38N2O5 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N2O5/c1-14(26-29)23-20(15(2)27(30)31)13-22-19-7-6-17-12-18(32-16(3)28)8-10-24(17,4)21(19)9-11-25(22,23)5/h6,15,18-23,29H,7-13H2,1-5H3/b26-14+/t15?,18-,19?,20-,21?,22?,23-,24-,25-/m0/s1
InChIKey
VOETZVYTDQTIBX-FNZPGTSESA-N
Synonyms

((3S10R13S16R17S)17((E)NhydroxyCmethylcarbonimidoyl)1013dimethyl16(1nitroethyl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)acetate
CC(C1CC2C3CC=C4CC(CCC4(C3CCC2(C1C(=NO)C)C)C)OC(=O)C)(N+)(=O)(O)
InChI=1SC25H38N2O5c114(2629)2320(15(2)27(30)31)13221976171218(3216(3)28)81024(174)21(19)91125(2223)5h615182329H713H215H3b2614+t15?1819?2021?22?232425m0s1
MFCD00825915
ON=C((C@H)1(C@@H)(CC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C)C((N+)(=O)(O))C)C
ZINC000253505641
ZINC000253505649

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.