Vitas-M small molecule compound

tert-butyl [(1S)-1-{4-amino-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl]carbamate

Catalog ID
STK591917
SMILES O=C(OC(C)(C)C)N[C@H](c1nnc(n1N)SCc1ccccc1Cl)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)27-10-12-8-6-7-9-13(12)19/h6-9,11,14H,10,20H2,1-5H3,(H,21,25)/t14-/m0/s1
InChIKey
NREZLEAUGKBHEU-AWEZNQCLSA-N
Synonyms
1173685-11-4
(S)tertbutyl(1(4amino5((2chlorobenzyl)thio)4H124triazol3yl)2methylpropyl)carbamate
1173685114
CC(C)C(C1=NN=C(N1N)SCC2=CC=CC=C2Cl)NC(=O)OC(C)(C)C
InChI=1SC18H26ClN5O2Sc111(2)14(2117(25)2618(34)5)15222316(24(15)20)271012867913(12)19h691114H1020H215H3(H2125)t14m0s1
MFCD06610700
O=C(OC(C)(C)C)N(C@H)(c1nnc(n1N)SCc1ccccc1Cl)C(C)C
tertbutyl((1S)1(4amino5((2chlorobenzyl)sulfanyl)4H124triazol3yl)2methylpropyl)carbamate
TERTBUTYLN((1S)1(4AMINO5((2CHLOROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)2METHYLPROPYL)CARBAMATE
ZINC000002350774
ZINC02350774
ZINC2350774

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.