Vitas-M small molecule compound

methyl 4-[({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK773552
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc2c(n1)n(C(C)C)c1c2cccc1

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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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-13(2)27-17-7-5-4-6-16(17)19-20(27)24-22(26-25-19)31-12-18(28)23-15-10-8-14(9-11-15)21(29)30-3/h4-11,13H,12H2,1-3H3,(H,23,28)
InChIKey
ATEUHXLEZSEITB-UHFFFAOYSA-N
Synonyms

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC22H21N5O3Sc113(2)2717754616(17)1920(27)2422(262519)311218(28)231510814(91115)21(29)303h41113H12H213H3(H2328)
methyl4((((5(propan2yl)5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5PROPAN2YL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD01891211
ZINC000001080525
ZINC01080525
ZINC1080525

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.