Vitas-M small molecule compound
(3Z)-1-heptyl-3-[2-(4-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Catalog ID
STK812601
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)c2ccc(cc2)OC)/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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-3-4-5-6-9-16-29-20-11-8-7-10-19(20)21(24(29)31)22-25(32)30-26(34-22)27-23(28-30)17-12-14-18(33-2)15-13-17/h7-8,10-15H,3-6,9,16H2,1-2H3/b22-21-InChIKey
KBMWSXYDNPORSB-DQRAZIAOSA-NSynonyms
(3Z)1heptyl3(2(4methoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1heptyl2oxoindol3ylidene)2(4methoxyphenyl)(13)thiazolo(32b)(124)triazol6one
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)c2ccc(cc2)OC)C1=O
InChI=1SC26H26N4O3Sc13456916292011871019(20)21(24(29)31)2225(32)3026(3422)2723(2830)17121418(332)151317h781015H36916H212H3b2221
MFCD03533774
ZINC000097946483
ZINC97946483
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