Vitas-M small molecule compound
N-(2-methoxyphenyl)-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
STL365477
SMILES COc1ccccc1NC(=O)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-14(27-16-9-5-7-11-18(16)31-12-20(27)29)21-24-25-22(26(21)2)32-13-19(28)23-15-8-4-6-10-17(15)30-3/h4-11,14H,12-13H2,1-3H3,(H,23,28)InChIKey
PIQXSSDDYIJEBF-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2OC)N3C(=O)COC4=CC=CC=C43
InChI=1SC22H23N5O4Sc114(27169571118(16)311220(27)29)21242522(26(21)2)321319(28)23158461017(15)303h41114H1213H213H3(H2328)
MFCD09476290
N(2methoxyphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(2methoxyphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019032
ZINC000015019033
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