Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-16-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-14-yl]oxy}acetamide

Catalog ID
STL531541
SMILES COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2

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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 C29H35NO8 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(17-26(34-2)28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1
InChIKey
LXSBXNBDXOZFEV-IBGZPJMESA-N
Synonyms
1212423-07-8
(S)N(23dihydrobenzo(b)(14)dioxin6yl)2((16methoxy3methyl17dioxo3456789101112decahydro1Hbenzo(c)(1)oxacyclotetradecin14yl)oxy)acetamide
~(N)(23dihydro14benzodioxin6yl)2(((4~(S))18methoxy4methyl28dioxo3oxabicyclo(1240)octadeca1(14)1517trien16yl)oxy)acetamide
1212423078
16405230
COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O(C@@H)(C)CCCC(=O)CCCCC2
InChI=1SC29H35NO8c119761022(31)95348201523(1726(342)28(20)29(33)3819)371827(32)302111122425(1621)3614133524h1112151719H310131418H212H3(H3032)t19m0s1
MFCD06769554
N(23dihydro14benzodioxin6yl)2(((3S)16methoxy3methyl17dioxo3456789101112decahydro1H2benzoxacyclotetradecin14yl)oxy)acetamide
ZINC000012887036
ZINC12887036

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Available files

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