Vitas-M small molecule compound

2-[(5Z)-5-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

Catalog ID
STK983067
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)c2ccccc2OC(=O)C)/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 C27H26N4O4S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S/c1-3-4-5-6-11-16-30-20-14-9-7-12-18(20)22(25(30)33)23-26(34)31-27(36-23)28-24(29-31)19-13-8-10-15-21(19)35-17(2)32/h7-10,12-15H,3-6,11,16H2,1-2H3/b23-22-
InChIKey
KFUNFYMHVGQJGV-FCQUAONHSA-N
Synonyms
384374-73-6
(2((5Z)5(1HEPTYL2OXOINDOL3YLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5(1heptyl2oxoindolin3ylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5(1heptyl2oxo12dihydro3Hindol3ylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
2(5(1HEPTYL2OXOBENZO(D)AZOLIN3YLIDENE)6OXO13THIAZOLIDINO(32D)124TRIAZOL2YL)PHENYLACETATE
384374736
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5OC(=O)C)S3)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)c2ccccc2OC(=O)C)C1=O
InChI=1SC27H26N4O4Sc134561116302014971218(20)22(25(30)33)2326(34)3127(3623)2824(2931)19138101521(19)3517(2)32h7101215H361116H212H3b2322
MFCD01457550
ZINC000100822032
ZINC100822032

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Available files

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