Vitas-M small molecule compound
(3Z)-1-(2-fluorobenzyl)-3-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Catalog ID
STK799818
SMILES COc1cc(cc(c1OC)OC)c1nn2c(n1)s/c(=C\1/c3ccccc3N(C1=O)Cc1ccccc1F)/c2=O
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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 C28H21FN4O5S MW 544.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN4O5S/c1-36-20-12-16(13-21(37-2)23(20)38-3)25-30-28-33(31-25)27(35)24(39-28)22-17-9-5-7-11-19(17)32(26(22)34)14-15-8-4-6-10-18(15)29/h4-13H,14H2,1-3H3/b24-22-InChIKey
VMWDMXGYMVBKHX-GYHWCHFESA-NSynonyms
(3Z)1(2fluorobenzyl)3(6oxo2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1((2fluorophenyl)methyl)2oxoindol3ylidene)2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol6one
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6F)SC3=N2
COc1cc(cc(c1OC)OC)c1nn2c(n1)sc(=C1c3ccccc3N(C1=O)Cc1ccccc1F)c2=O
InChI=1SC28H21FN4O5Sc136201216(1321(372)23(20)383)25302833(3125)27(35)24(3928)22179571119(17)32(26(22)34)14158461018(15)29h413H14H213H3b2422
MFCD04446971
ZINC000003637485
ZINC3637485
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