Vitas-M small molecule compound

methyl N-{[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate

Catalog ID
STK122171
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CSc1nnc2c(n1)n(CC)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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-3-28-18-12-8-7-11-16(18)20-21(28)25-23(27-26-20)32-14-19(29)24-17(22(30)31-2)13-15-9-5-4-6-10-15/h4-12,17H,3,13-14H2,1-2H3,(H,24,29)
InChIKey
IEZQCGYQPINWLW-UHFFFAOYSA-N
Synonyms

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC(CC4=CC=CC=C4)C(=O)OC
InChI=1SC23H23N5O3Sc13281812871116(18)2021(28)2523(272620)321419(29)2417(22(30)312)131595461015h41217H31314H212H3(H2429)
METHYL2((2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)3PHENYLPROPANOATE
METHYLN(((5ETHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)PHENYLALANINATE
MFCD04128751
ZINC000009805756
ZINC000009805875

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Available files

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