Vitas-M small molecule compound
N-{1-[5-({2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STL182703
SMILES O=C(Nc1sc(c(n1)C)C)CSc1nnc(n1CC(C)C)C(NC(=O)c1ccccc1)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 C22H28N6O2S2 MW 472.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O2S2/c1-13(2)11-28-19(15(4)23-20(30)17-9-7-6-8-10-17)26-27-22(28)31-12-18(29)25-21-24-14(3)16(5)32-21/h6-10,13,15H,11-12H2,1-5H3,(H,23,30)(H,24,25,29)InChIKey
QKPKVWCLDUCGMS-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2CC(C)C)C(C)NC(=O)C3=CC=CC=C3)C
InChI=1SC22H28N6O2S2c113(2)112819(15(4)2320(30)1797681017)262722(28)311218(29)25212414(3)16(5)3221h6101315H1112H215H3(H2330)(H242529)
MFCD22125637
N(1(5((2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl)4(2methylpropyl)4H124triazol3yl)ethyl)benzamide
N(1(5(2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl4(2methylpropyl)124triazol3yl)ethyl)benzamide
ZINC000072191805
ZINC000072191808
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