Vitas-M small molecule compound
N~3~-(2-chloro-7H-purin-6-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Catalog ID
STL247885
SMILES O=C(Nc1nnc(s1)C(C)C)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 C13H15ClN8OS MW 366.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClN8OS/c1-6(2)11-21-22-13(24-11)18-7(23)3-4-15-9-8-10(17-5-16-8)20-12(14)19-9/h5-6H,3-4H2,1-2H3,(H,18,22,23)(H2,15,16,17,19,20)InChIKey
KIKRYRRFPOXJDE-UHFFFAOYSA-NSynonyms
1351679-81-61351679816
3((2chloro7Hpurin6yl)amino)N(5propan2yl134thiadiazol2yl)propanamide
3((2chloro9Hpurin6yl)amino)N(5isopropyl134thiadiazol2yl)propanamide
CC(C)C1=NN=C(S1)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl
InChI=1SC13H15ClN8OSc16(2)11212213(2411)187(23)34159810(175168)2012(14)199h56H34H212H3(H182223)(H21516171920)
MFCD24861032
N~3~(2chloro7Hpurin6yl)N(5(propan2yl)134thiadiazol2yl)betaalaninamide
N3(2CHLORO7HPURIN6YL)N(5(PROPAN2YL)134THIADIAZOL2YL)BETAALANINAMIDE
O=C(Nc1nnc(s1)C(C)C)CCNc1nc(Cl)nc2c1(nH)cn2
O=C(Nc1nnc(s1)C(C)C)CCNc1nc(Cl)nc2c1nc(nH)2
ZINC000072401410
ZINC72401410
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