Vitas-M small molecule compound

methyl 4-({[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetyl}amino)benzoate

Catalog ID
STL084585
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1c2ccccc2n2c(c1=O)nnc2C(C)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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-13(2)19-24-25-20-21(29)26(16-6-4-5-7-17(16)27(19)20)12-18(28)23-15-10-8-14(9-11-15)22(30)31-3/h4-11,13H,12H2,1-3H3,(H,23,28)
InChIKey
YDQZXDCGUFPSOR-UHFFFAOYSA-N
Synonyms
1261021-84-4
1261021844
CC(C)C1=NN=C2N1C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC22H21N5O4c113(2)1924252021(29)26(16645717(16)27(19)20)1218(28)231510814(91115)22(30)313h41113H12H213H3(H2328)
methyl4(((4oxo1(propan2yl)(124)triazolo(43a)quinoxalin5(4H)yl)acetyl)amino)benzoate
methyl4((2(4oxo1propan2yl(124)triazolo(43a)quinoxalin5yl)acetyl)amino)benzoate
METHYL4(2(1ISOPROPYL4OXO(124)TRIAZOLO(43A)QUINOXALIN5(4H)YL)ACETAMIDO)BENZOATE
MFCD18203141
ZINC000057522512
ZINC57522512

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Available files

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