Vitas-M small molecule compound
N-benzyl-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
STL365522
SMILES O=C(CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)C)NCc1ccccc1
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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-15(27-17-10-6-7-11-18(17)30-13-20(27)29)21-24-25-22(26(21)2)31-14-19(28)23-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)InChIKey
GYPCIHCNNYCIMK-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NCC2=CC=CC=C2)N3C(=O)COC4=CC=CC=C43
InChI=1SC22H23N5O3Sc115(271710671118(17)301320(27)29)21242522(26(21)2)311419(28)2312168435916h31115H1214H212H3(H2328)
MFCD09476335
Nbenzyl2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
Nbenzyl2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019106
ZINC000015019107
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