Vitas-M small molecule compound
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl (10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate
Catalog ID
STL503342
SMILES O=C(CSc1nnc2n1nc1c(n2)[nH]c2c1cccc2)OCN1C(=O)c2c(C1=O)cccc2
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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 C21H13N7O4S MW 459.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N7O4S/c29-15(32-10-27-18(30)11-5-1-2-6-12(11)19(27)31)9-33-21-25-24-20-23-17-16(26-28(20)21)13-7-3-4-8-14(13)22-17/h1-8H,9-10H2,(H,22,23,24)InChIKey
DNPLUZFGSXNDQV-UHFFFAOYSA-NSynonyms
(13dioxo13dihydro2Hisoindol2yl)methyl(10H(124)triazolo(4323)(124)triazino(56b)indol3ylsulfanyl)acetate
(13dioxoisoindol2yl)methyl2(81012131516hexazatetracyclo(7700^(27)0^(1115))hexadeca1(16)24691113heptaen14ylsulfanyl)acetate
135531991
InChI=1SC21H13N7O4Sc2915(32102718(30)11512612(11)19(27)31)93321252420231716(2628(20)21)13734814(13)2217h18H910H2(H222324)
MFCD01961513
ZINC000020533914
ZINC20533914
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