Vitas-M small molecule compound
N~3~-(2-chloro-7H-purin-6-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Catalog ID
STL247758
SMILES O=C(Nc1nnc(s1)C1CCCCC1)CCNc1nc(Cl)nc2c1[nH]cn2
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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 C16H19ClN8OS MW 406.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN8OS/c17-15-22-12(11-13(23-15)20-8-19-11)18-7-6-10(26)21-16-25-24-14(27-16)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,21,25,26)(H2,18,19,20,22,23)InChIKey
YLAXBPNPQLREQL-UHFFFAOYSA-NSynonyms
1351683-06-11351683061
3((2chloro7Hpurin6yl)amino)N(5cyclohexyl134thiadiazol2yl)propanamide
3((2chloro9Hpurin6yl)amino)N(5cyclohexyl134thiadiazol2yl)propanamide
C1CCC(CC1)C2=NN=C(S2)NC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl
InChI=1SC16H19ClN8OSc17152212(1113(2315)2081911)187610(26)2116252414(2716)9421359h89H17H2(H212526)(H21819202223)
MFCD24860990
N~3~(2chloro7Hpurin6yl)N(5cyclohexyl134thiadiazol2yl)betaalaninamide
N3(2CHLORO7HPURIN6YL)N(5CYCLOHEXYL134THIADIAZOL2YL)BETAALANINAMIDE
O=C(Nc1nnc(s1)C1CCCCC1)CCNc1nc(Cl)nc2c1(nH)cn2
O=C(Nc1nnc(s1)C1CCCCC1)CCNc1nc(Cl)nc2c1nc(nH)2
ZINC000072402112
ZINC72402112
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