Vitas-M small molecule compound
8-[4-(2-{[5-bromo-2-(methoxycarbonyl)-1H-indol-3-yl]amino}-2-oxoethyl)piperazin-4-ium-1-yl]-3-methyl-2-oxo-7-propyl-3,7-dihydro-2H-purin-6-olate
Catalog ID
STL043514
SMILES CCCn1c(nc2c1c([O-])nc(=O)n2C)N1CC[NH+](CC1)CC(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OC
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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 C25H29BrN8O5 MW 601.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrN8O5/c1-4-7-34-20-21(31(2)25(38)30-22(20)36)29-24(34)33-10-8-32(9-11-33)13-17(35)28-18-15-12-14(26)5-6-16(15)27-19(18)23(37)39-3/h5-6,12,27H,4,7-11,13H2,1-3H3,(H,28,35)(H,30,36,38)InChIKey
CXHDPKZKYLZQRT-UHFFFAOYSA-NSynonyms
8(4(2((5bromo2(methoxycarbonyl)1Hindol3yl)amino)2oxoethyl)piperazin4ium1yl)3methyl2oxo7propyl37dihydro2Hpurin6olate
8(4(2((5BROMO2METHOXYCARBONYL1HINDOL3YL)AMINO)2OXOETHYL)PIPERAZIN4IUM1YL)3METHYL6OXO7PROPYLPURIN2OLATE
CCCn1c(nc2c1c((O))nc(=O)n2C)N1CC(NH+)(CC1)CC(=O)Nc1c((nH)c2c1cc(Br)cc2)C(=O)OC
CCCN1C2=C(N=C1N3CC(NH+)(CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)Br)C(=O)OC)N(C(=NC2=O)(O))C
InChI=1SC25H29BrN8O5c147342021(31(2)25(38)3022(20)36)2924(34)3310832(91133)1317(35)2818151214(26)5616(15)2719(18)23(37)393h561227H471113H213H3(H2835)(H303638)
METHYL5BROMO3((2(4(3METHYL26DIOXO7PROPYLPURIN8YL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
MFCD18248229
ZINC000102873320
ZINC102873320
Check stock
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