Vitas-M small molecule compound
1'-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK724678
SMILES COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CC(C)CC1)[N+](=O)[O-]
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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 C27H30N4O7 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O7/c1-16-8-10-29-20-6-5-19(31(35)36)14-18(20)15-27(23(29)12-16)24(32)28-26(34)30(25(27)33)11-9-17-4-7-21(37-2)22(13-17)38-3/h4-7,13-14,16,23H,8-12,15H2,1-3H3,(H,28,32,34)InChIKey
HLWLHPKYKMOXKD-UHFFFAOYSA-NSynonyms
1014042-44-41(2(34dimethoxyphenyl)ethyl)3methyl8nitro2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)246(1H3H)trione
1(2(34dimethoxyphenyl)ethyl)3methyl8nitrospiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)246trione
1(34dimethoxyphenethyl)3methyl8nitro12344a6hexahydro1Hspiro(pyrido(12a)quinoline55pyrimidine)246(3H)trione
1014042444
CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)CCC5=CC(=C(C=C5)OC)OC
COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CC(C)CC1)(N+)(=O)(O)
InChI=1SC27H30N4O7c11681029206519(31(35)36)1418(20)1527(23(29)1216)24(32)2826(34)30(25(27)33)119174721(372)22(1317)383h4713141623H81215H213H3(H283234)
MFCD07639236
ZINC000008974522
ZINC000102788153
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.