Vitas-M small molecule compound
methyl 4-{[({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STL365475
SMILES COC(=O)c1ccc(cc1)NC(=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 C23H23N5O5S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S/c1-14(28-17-6-4-5-7-18(17)33-12-20(28)30)21-25-26-23(27(21)2)34-13-19(29)24-16-10-8-15(9-11-16)22(31)32-3/h4-11,14H,12-13H2,1-3H3,(H,24,29)InChIKey
IKEWTKSPAJELFI-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)N3C(=O)COC4=CC=CC=C43
InChI=1SC23H23N5O5Sc114(2817645718(17)331220(28)30)21252623(27(21)2)341319(29)241610815(91116)22(31)323h41114H1213H213H3(H2429)
methyl4((((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoate
MFCD09476288
ZINC000015019028
ZINC000015019029
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