Vitas-M small molecule compound
1-(2-chloro-9H-purin-6-yl)-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]piperidine-3-carboxamide
Catalog ID
STK933715
SMILES O=C(C1CCCN(C1)c1nc(Cl)nc2c1nc[nH]2)/N=c/1\[nH]nc(s1)C(C)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 C16H19ClN8OS MW 406.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN8OS/c1-8(2)14-23-24-16(27-14)22-13(26)9-4-3-5-25(6-9)12-10-11(19-7-18-10)20-15(17)21-12/h7-9H,3-6H2,1-2H3,(H,22,24,26)(H,18,19,20,21)InChIKey
WBVOODILCFNGJU-UHFFFAOYSA-NSynonyms
1190247-92-71(2chloro7Hpurin6yl)N(5propan2yl134thiadiazol2yl)piperidine3carboxamide
1(2chloro9Hpurin6yl)N((2E)5(propan2yl)134thiadiazol2(3H)ylidene)piperidine3carboxamide
1190247927
CC(C)C1=NN=C(S1)NC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl
InChI=1SC16H19ClN8OSc18(2)14232416(2714)2213(26)943525(69)121011(1971810)2015(17)2112h79H36H212H3(H222426)(H18192021)
MFCD18177590
O=C(C1CCCN(C1)c1nc(Cl)nc2c1nc(nH)2)N=c1(nH)nc(s1)C(C)C
ZINC000036360650
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