Vitas-M small molecule compound

(3Z)-1-benzyl-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
STK799820
SMILES COc1cc(cc(c1OC)OC)c1nn2c(n1)s/c(=C\1/c3ccccc3N(C1=O)Cc1ccccc1)/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 C28H22N4O5S MW 526.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O5S/c1-35-20-13-17(14-21(36-2)23(20)37-3)25-29-28-32(30-25)27(34)24(38-28)22-18-11-7-8-12-19(18)31(26(22)33)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3/b24-22-
InChIKey
IIJXYEBXGKUSSD-GYHWCHFESA-N
Synonyms

(3Z)1benzyl3(6oxo2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1benzyl2oxoindol3ylidene)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=C6)SC3=N2
COc1cc(cc(c1OC)OC)c1nn2c(n1)sc(=C1c3ccccc3N(C1=O)Cc1ccccc1)c2=O
InChI=1SC28H22N4O5Sc135201317(1421(362)23(20)373)25292832(3025)27(34)24(3828)221811781219(18)31(26(22)33)151695461016h414H15H213H3b2422
MFCD06285241
ZINC000003637478
ZINC3637478

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Available files

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