Vitas-M small molecule compound

[4-(4-butylphenyl)-6-fluoro-1,1-dioxido-4H-1,4-benzothiazin-2-yl](3,4-dimethoxyphenyl)methanone

Catalog ID
STL095480
SMILES CCCCc1ccc(cc1)N1C=C(C(=O)c2ccc(c(c2)OC)OC)S(=O)(=O)c2c1cc(F)cc2

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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 C27H26FNO5S MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FNO5S/c1-4-5-6-18-7-11-21(12-8-18)29-17-26(35(31,32)25-14-10-20(28)16-22(25)29)27(30)19-9-13-23(33-2)24(15-19)34-3/h7-17H,4-6H2,1-3H3
InChIKey
CYNSNAYVQRMLOL-UHFFFAOYSA-N
Synonyms
1114659-07-2
(4(4butylphenyl)6fluoro11dioxido4H14benzothiazin2yl)(34dimethoxyphenyl)methanone
(4(4BUTYLPHENYL)6FLUORO11DIOXIDO4HBENZO(B)(14)THIAZIN2YL)(34DIMETHOXYPHENYL)METHANONE
(4(4butylphenyl)6fluoro11dioxo1$l^(6)4benzothiazin2yl)(34dimethoxyphenyl)methanone
1114659072
CCCCC1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)C4=CC(=C(C=C4)OC)OC
InChI=1SC27H26FNO5Sc14561871121(12818)291726(35(3132)25141020(28)1622(25)29)27(30)1991323(332)24(1519)343h717H46H213H3
MFCD14953639
ZINC000032984505
ZINC32984505

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Available files

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