Vitas-M small molecule compound
N-(4-cyclohexylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL365503
SMILES O=C(Nc1ccc(cc1)C1CCCCC1)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C27H31N5O3S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O3S/c1-18(32-22-10-6-7-11-23(22)35-16-25(32)34)26-29-30-27(31(26)2)36-17-24(33)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h6-7,10-15,18-19H,3-5,8-9,16-17H2,1-2H3,(H,28,33)InChIKey
AMTAIXLDKUXESK-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C3CCCCC3)N4C(=O)COC5=CC=CC=C54
InChI=1SC27H31N5O3Sc118(322210671123(22)351625(32)34)26293027(31(26)2)361724(33)2821141220(131521)198435919h6710151819H35891617H212H3(H2833)
MFCD09476316
N(4cyclohexylphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(4cyclohexylphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019076
ZINC000015019077
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