Vitas-M small molecule compound
2-bromo-N-(1-{4-methyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Catalog ID
STK137585
SMILES O=C(Nc1ccccc1C(C)C)CSc1nnc(n1C)C(NC(=O)c1ccccc1Br)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 C23H26BrN5O2S MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN5O2S/c1-14(2)16-9-6-8-12-19(16)26-20(30)13-32-23-28-27-21(29(23)4)15(3)25-22(31)17-10-5-7-11-18(17)24/h5-12,14-15H,13H2,1-4H3,(H,25,31)(H,26,30)InChIKey
FQVTVXVPZCTLMM-UHFFFAOYSA-NSynonyms
2BROMON(1(4METHYL5((2OXO2((2(PROPAN2YL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON(1(4METHYL5(2OXO2(2PROPAN2YLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3Br
InChI=1SC23H26BrN5O2Sc114(2)169681219(16)2620(30)133223282721(29(23)4)15(3)2522(31)1710571118(17)24h5121415H13H214H3(H2531)(H2630)
MFCD05986478
ZINC000001131320
ZINC000001131322
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