Vitas-M small molecule compound
3-[(9-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanoic acid
Catalog ID
STK897601
SMILES OC(=O)CCS(=O)(=O)c1nc2c(n1Cc1ccccc1)n(C)c(=O)n(c2=O)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 C17H18N4O6S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O6S/c1-19-14-13(15(24)20(2)17(19)25)18-16(28(26,27)9-8-12(22)23)21(14)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,22,23)InChIKey
XMSFTXXSTWENBG-UHFFFAOYSA-NSynonyms
3((9benzyl13dimethyl26dioxo2369tetrahydro1Hpurin8yl)sulfonyl)propanoicacid
3(9benzyl13dimethyl26dioxopurin8yl)sulfonylpropanoicacid
CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3)S(=O)(=O)CCC(=O)O
InChI=1SC17H18N4O6Sc1191413(15(24)20(2)17(19)25)1816(28(2627)9812(22)23)21(14)10116435711h37H810H212H3(H2223)
MFCD15147719
ZINC000033274153
ZINC33274153
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