Vitas-M small molecule compound

ethyl 2-{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate

Catalog ID
STK833927
SMILES CCOC(=O)C(Sc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=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 C18H19BrN4O4S MW 467.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O4S/c1-4-27-16(25)10(2)28-18-20-14-13(15(24)21-17(26)22(14)3)23(18)9-11-6-5-7-12(19)8-11/h5-8,10H,4,9H2,1-3H3,(H,21,24,26)
InChIKey
HDPLVQCEUDKYAM-UHFFFAOYSA-N
Synonyms
326918-99-4
326918994
CCOC(=O)C(C)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C)C
ethyl2((7(3bromobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
ethyl2((7(3bromobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
ETHYL2(7((3BROMOPHENYL)METHYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOATE
ETHYL2(7((3BROMOPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
InChI=1SC18H19BrN4O4Sc142716(25)10(2)2818201413(15(24)2117(26)22(14)3)23(18)91165712(19)811h5810H49H213H3(H212426)
MFCD01079259
ZINC000000632691
ZINC000000632694

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Available files

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