Vitas-M small molecule compound
tert-butyl (1-{4-amino-5-[(4-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-phenylethyl)carbamate
Catalog ID
STL055231
SMILES O=C(OC(C)(C)C)NC(c1nnc(n1N)SCc1ccc(cc1)Cl)Cc1ccccc1
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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 C22H26ClN5O2S MW 460.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN5O2S/c1-22(2,3)30-21(29)25-18(13-15-7-5-4-6-8-15)19-26-27-20(28(19)24)31-14-16-9-11-17(23)12-10-16/h4-12,18H,13-14,24H2,1-3H3,(H,25,29)InChIKey
XUUJFGOITYWNIW-UHFFFAOYSA-NSynonyms
(S)tertbutyl(1(4amino5((4chlorobenzyl)thio)4H124triazol3yl)2phenylethyl)carbamate
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Cl
InChI=1SC22H26ClN5O2Sc122(23)3021(29)2518(13157546815)19262720(28(19)24)31141691117(23)121016h41218H131424H213H3(H2529)
MFCD18192762
O=C(OC(C)(C)C)N(C@H)(c1nnc(n1N)SCc1ccc(cc1)Cl)Cc1ccccc1
TERTBUTYL((1S)1(4AMINO5((4CHLOROBENZYL)SULFANYL)4H124TRIAZOL3YL)2PHENYLETHYL)CARBAMATE
tertbutyl(1(4amino5((4chlorobenzyl)sulfanyl)4H124triazol3yl)2phenylethyl)carbamate
TERTBUTYLN(1(4AMINO5((4CHLOROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)2PHENYLETHYL)CARBAMATE
ZINC000002241168
ZINC000016011603
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