Vitas-M small molecule compound
3-{[3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK098435
SMILES OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)C)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 C17H18N4O4S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O4S/c1-10-3-5-11(6-4-10)9-21-13-14(20(2)16(25)19-15(13)24)18-17(21)26-8-7-12(22)23/h3-6H,7-9H2,1-2H3,(H,22,23)(H,19,24,25)InChIKey
NWBNPUXEOUPUBM-UHFFFAOYSA-NSynonyms
303969-87-13((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(3METHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLPROPANOICACID
303969871
CC1=CC=C(C=C1)CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C
InChI=1SC17H18N4O4Sc1103511(6410)9211314(20(2)16(25)1915(13)24)1817(21)268712(22)23h36H79H212H3(H2223)(H192425)
MFCD01555117
OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
STK098435
ZINC000000850087
ZINC850087
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