Vitas-M small molecule compound
3-{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK527763
SMILES OC(=O)CCSc1nc2c(n1Cc1cccc(c1)Br)c(=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 C16H15BrN4O4S MW 439.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN4O4S/c1-20-13-12(14(24)19-15(20)25)21(8-9-3-2-4-10(17)7-9)16(18-13)26-6-5-11(22)23/h2-4,7H,5-6,8H2,1H3,(H,22,23)(H,19,24,25)InChIKey
KVXXOMYPLGTIDS-UHFFFAOYSA-NSynonyms
326918-97-23((7(3bromobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7(3bromobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7((3BROMOPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
326918972
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC3=CC(=CC=C3)Br
InChI=1SC16H15BrN4O4Sc1201312(14(24)1915(20)25)21(8932410(17)79)16(1813)266511(22)23h247H568H21H3(H2223)(H192425)
MFCD01079257
OC(=O)CCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
ZINC000003877956
ZINC3877956
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