Vitas-M small molecule compound
ethyl 2-({7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}sulfanyl)propanoate
Catalog ID
STK638420
SMILES CCOC(=O)C(Sc1nc2c(n1C/C=C(\Cl)/C)c(O)nc(=O)n2C)C
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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 C15H19ClN4O4S MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19ClN4O4S/c1-5-24-13(22)9(3)25-15-17-11-10(20(15)7-6-8(2)16)12(21)18-14(23)19(11)4/h6,9H,5,7H2,1-4H3,(H,18,21,23)/b8-6-InChIKey
IUINHBVNCSGIEX-VURMDHGXSA-NSynonyms
1146248-03-41146248034
2((7((Z)3CHLOROBUT2ENYL)26DIKETO3METHYLPURIN8YL)THIO)PROPIONICACIDETHYLESTER
2((7((Z)3CHLOROBUT2ENYL)3METHYL26DIOXO8PURINYL)THIO)PROPANOICACIDETHYLESTER
CCOC(=O)C(C)SC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1CC=C(Cl)C)c(O)nc(=O)n2C)C
ethyl2((7((2Z)3chlorobut2en1yl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)propanoate
ETHYL2(7((Z)3CHLORANYLBUT2ENYL)3METHYL26BIS(OXIDANYLIDENE)PURIN8YL)SULFANYLPROPANOATE
ETHYL2(7((Z)3CHLOROBUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
InChI=1SC15H19ClN4O4Sc152413(22)9(3)2515171110(20(15)768(2)16)12(21)1814(23)19(11)4h69H57H214H3(H182123)b86
MFCD18161687
ZINC000002346526
ZINC000002346530
Check stock
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Check stock on Vitas-MAvailable files
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