Vitas-M small molecule compound
({7-[(2E)-3-chlorobut-2-en-1-yl]-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}sulfanyl)acetic acid
Catalog ID
STK643400
SMILES OC(=O)CSc1nc2c(n1C/C=C(/Cl)\C)c(O)nc(=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 C12H13ClN4O4S MW 344.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4O4S/c1-6(13)3-4-17-8-9(14-12(17)22-5-7(18)19)16(2)11(21)15-10(8)20/h3H,4-5H2,1-2H3,(H,18,19)(H,15,20,21)/b6-3+InChIKey
OORBDRYFOIPBKX-ZZXKWVIFSA-NSynonyms
329698-25-1((7((2E)3chlorobut2en1yl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)aceticacid
2(7((E)3CHLOROBUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
329698251
CC(=CCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C)Cl
InChI=1SC12H13ClN4O4Sc16(13)341789(1412(17)2257(18)19)16(2)11(21)1510(8)20h3H45H212H3(H1819)(H152021)b63+
MFCD18163297
OC(=O)CSc1nc2c(n1CC=C(Cl)C)c(O)nc(=O)n2C
ZINC000004322844
ZINC4322844
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