Vitas-M small molecule compound
1-(2-chloro-9H-purin-6-yl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]piperidine-4-carboxamide
Catalog ID
STK935724
SMILES CC(Cc1n[nH]/c(=N\C(=O)C2CCN(CC2)c2nc(Cl)nc3c2nc[nH]3)/s1)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 C17H21ClN8OS MW 420.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN8OS/c1-9(2)7-11-24-25-17(28-11)23-15(27)10-3-5-26(6-4-10)14-12-13(20-8-19-12)21-16(18)22-14/h8-10H,3-7H2,1-2H3,(H,23,25,27)(H,19,20,21,22)InChIKey
SDVZXJKGZHRUGA-UHFFFAOYSA-NSynonyms
1190241-29-21(2chloro7Hpurin6yl)N(5(2methylpropyl)134thiadiazol2yl)piperidine4carboxamide
1(2chloro9Hpurin6yl)N((2E)5(2methylpropyl)134thiadiazol2(3H)ylidene)piperidine4carboxamide
1190241292
CC(C)CC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl
CC(Cc1n(nH)c(=NC(=O)C2CCN(CC2)c2nc(Cl)nc3c2nc(nH)3)s1)C
InChI=1SC17H21ClN8OSc19(2)711242517(2811)2315(27)103526(6410)141213(2081912)2116(18)2214h810H37H212H3(H232527)(H19202122)
MFCD18178139
ZINC36365511
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