Vitas-M small molecule compound
(3Z)-1-(4-methylbenzyl)-3-{6-oxo-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
Catalog ID
STK904869
SMILES Cc1ccc(cc1)CN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)/C=C/c2ccccc2)/C1=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 C28H20N4O2S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O2S/c1-18-11-13-20(14-12-18)17-31-22-10-6-5-9-21(22)24(26(31)33)25-27(34)32-28(35-25)29-23(30-32)16-15-19-7-3-2-4-8-19/h2-16H,17H2,1H3/b16-15+,25-24-InChIKey
PPQAUYCTSOLXFI-PBTXOSIISA-NSynonyms
(3Z)1(4methylbenzyl)3(6oxo2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1((4methylphenyl)methyl)2oxoindol3ylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C4C(=O)N5C(=NC(=N5)C=CC6=CC=CC=C6)S4)C2=O
Cc1ccc(cc1)CN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)C=Cc2ccccc2)C1=O
InChI=1SC28H20N4O2Sc118111320(141218)1731221065921(22)24(26(31)33)2527(34)3228(3525)2923(3032)1615197324819h216H17H21H3b1615+2524
MFCD18076175
ZINC000027022553
ZINC27022553
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