Vitas-M small molecule compound

3-(benzyloxy)-4-methyl-2-nitro-N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)benzamide

Catalog ID
STL048374
SMILES O=C(c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C)Nc1ccc2c(c1)OCCOCCOCCOCCO2

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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 C29H32N2O9 MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O9/c1-21-7-9-24(27(31(33)34)28(21)40-20-22-5-3-2-4-6-22)29(32)30-23-8-10-25-26(19-23)39-18-16-37-14-12-35-11-13-36-15-17-38-25/h2-10,19H,11-18,20H2,1H3,(H,30,32)
InChIKey
KBHPRECNXUOXJY-UHFFFAOYSA-N
Synonyms

3(benzyloxy)4methyl2nitroN(2356891112octahydro1471013benzopentaoxacyclopentadecin15yl)benzamide
3(benzyloxy)4methyl2nitroN(2356891112octahydrobenzo(b)(1471013)pentaoxacyclopentadecin15yl)benzamide
4methyl2nitroN(2581114pentaoxabicyclo(1340)nonadeca1(15)1618trien17yl)3phenylmethoxybenzamide
CC1=C(C(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCOCCOCCOCCO3)(N+)(=O)(O))OCC4=CC=CC=C4
InChI=1SC29H32N2O9c1217924(27(31(33)34)28(21)4020225324622)29(32)30238102526(1923)3918163714123511133615173825h21019H111820H21H3(H3032)
MFCD01875961
O=C(c1ccc(c(c1(N+)(=O)(O))OCc1ccccc1)C)Nc1ccc2c(c1)OCCOCCOCCOCCO2
ZINC000102884727
ZINC102884727

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Available files

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