Vitas-M small molecule compound
2-methyl-3-[4a-(morpholin-4-yl)-7-nitro-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl]-1H-indole
Catalog ID
STK793022
SMILES [O-][N+](=O)c1ccc2c(c1)C(c1c(C)[nH]c3c1cccc3)C1C(O2)(CCCC1)N1CCOCC1
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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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-17-24(19-6-2-3-8-22(19)27-17)25-20-16-18(29(30)31)9-10-23(20)33-26(11-5-4-7-21(25)26)28-12-14-32-15-13-28/h2-3,6,8-10,16,21,25,27H,4-5,7,11-15H2,1H3InChIKey
XTTZLFDVYNCVHM-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)C(c1c(C)(nH)c3c1cccc3)C1C(O2)(CCCC1)N1CCOCC1
2methyl3(4a(morpholin4yl)7nitro2344a99ahexahydro1Hxanthen9yl)1Hindole
4(9(2methyl1Hindol3yl)7nitro123499ahexahydroxanthen4ayl)morpholine
CC1=C(C2=CC=CC=C2N1)C3C4CCCCC4(OC5=C3C=C(C=C5)(N+)(=O)(O))N6CCOCC6
InChI=1SC26H29N3O4c11724(19623822(19)2717)25201618(29(30)31)91023(20)3326(1154721(25)26)28121432151328h23681016212527H4571115H21H3
MFCD01571533
ZINC000000716557
ZINC000033683865
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