Vitas-M small molecule compound
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Catalog ID
STK758936
SMILES O=C(OCN1C(=O)c2c(C1=O)cccc2)CSc1nnc2c(n1)n(Cc1ccccc1)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 C27H19N5O4S MW 509.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O4S/c33-22(36-16-32-25(34)18-10-4-5-11-19(18)26(32)35)15-37-27-28-24-23(29-30-27)20-12-6-7-13-21(20)31(24)14-17-8-2-1-3-9-17/h1-13H,14-16H2InChIKey
QVAFBXABJHHEDM-UHFFFAOYSA-NSynonyms
(13dioxo13dihydro2Hisoindol2yl)methyl((5benzyl5H(124)triazino(56b)indol3yl)sulfanyl)acetate
(13DIOXOBENZO(C)AZOLIN2YL)METHYL2(5BENZYL124TRIAZINO(56B)INDOL3YLTHIO)ACETATE
(13DIOXOISOINDOL2YL)METHYL2((5BENZYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)OCN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC27H19N5O4Sc3322(36163225(34)1810451119(18)26(32)35)153727282423(293027)2012671321(20)31(24)14178213917h113H1416H2
MFCD01460435
ZINC000000706600
ZINC00706600
ZINC706600
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