Vitas-M small molecule compound
4-(8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butyl carbamimidothioate
Catalog ID
STL297726
SMILES NC(=N)SCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
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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 C11H15BrN6O2S MW 375.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15BrN6O2S/c1-17-7-6(8(19)16-11(17)20)18(9(12)15-7)4-2-3-5-21-10(13)14/h2-5H2,1H3,(H3,13,14)(H,16,19,20)InChIKey
WJDIJLWVFOVRQC-UHFFFAOYSA-NSynonyms
4(8bromo3methyl26dioxo1236tetrahydro7Hpurin7yl)butylcarbamimidothioate
4(8BROMO3METHYL26DIOXOPURIN7YL)BUTYLCARBAMIMIDOTHIOATE
CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC(=N)N
InChI=1SC11H15BrN6O2Sc11776(8(19)1611(17)20)18(9(12)157)42352110(13)14h25H21H3(H31314)(H161920)
MFCD01186332
NC(=N)SCCCCn1c(Br)nc2c1c(=O)(nH)c(=O)n2C
ZINC000004730658
ZINC4730658
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