Vitas-M small molecule compound
ethyl 5-fluoro-3-({[4-(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STK527777
SMILES CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OCC
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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 C26H31FN8O5 MW 554.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31FN8O5/c1-4-8-35-21-22(32(3)26(39)31-23(21)37)30-25(35)34-11-9-33(10-12-34)14-18(36)29-19-16-13-15(27)6-7-17(16)28-20(19)24(38)40-5-2/h6-7,13,28H,4-5,8-12,14H2,1-3H3,(H,29,36)(H,31,37,39)InChIKey
TTXCUYONDHUZPN-UHFFFAOYSA-NSynonyms
CCCn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCN(CC1)CC(=O)Nc1c((nH)c2c1cc(F)cc2)C(=O)OCC
CCCN1C2=C(N=C1N3CCN(CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)F)C(=O)OCC)N(C(=O)NC2=O)C
ethyl5fluoro3(((4(3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
ETHYL5FLUORO3((2(4(3METHYL26DIOXO7PROPYLPURIN8YL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
ethyl5fluoro3(2(4(3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)piperazin1yl)acetamido)1Hindole2carboxylate
InChI=1SC26H31FN8O5c148352122(32(3)26(39)3123(21)37)3025(35)3411933(101234)1418(36)2919161315(27)6717(16)2820(19)24(38)4052h671328H4581214H213H3(H2936)(H313739)
MFCD01951735
ZINC000102188156
ZINC102188156
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.