Vitas-M small molecule compound
tert-butyl (1-{4-amino-5-[(4-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)carbamate
Catalog ID
STL049338
SMILES CC(C(c1nnc(n1N)SCc1ccc(cc1)Cl)NC(=O)OC(C)(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 C18H26ClN5O2S MW 411.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26ClN5O2S/c1-11(2)14(21-17(25)26-18(3,4)5)15-22-23-16(24(15)20)27-10-12-6-8-13(19)9-7-12/h6-9,11,14H,10,20H2,1-5H3,(H,21,25)InChIKey
QKHRUYJCGDKZAY-UHFFFAOYSA-NSynonyms
(S)tertbutyl(1(4amino5((4chlorobenzyl)thio)4H124triazol3yl)2methylpropyl)carbamate
CC((C@@H)(c1nnc(n1N)SCc1ccc(cc1)Cl)NC(=O)OC(C)(C)C)C
CC(C)C(C1=NN=C(N1N)SCC2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C
InChI=1SC18H26ClN5O2Sc111(2)14(2117(25)2618(34)5)15222316(24(15)20)2710126813(19)9712h691114H1020H215H3(H2125)
MFCD18192627
tertbutyl(1(4amino5((4chlorobenzyl)sulfanyl)4H124triazol3yl)2methylpropyl)carbamate
TERTBUTYLN(1(4AMINO5((4CHLOROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)2METHYLPROPYL)CARBAMATE
ZINC000002327490
ZINC000016012011
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