Vitas-M small molecule compound
ethyl 4-{2-[(2,4-dimethylphenyl)carbonyl]-6-fluoro-1,1-dioxido-4H-1,4-benzothiazin-4-yl}benzoate
Catalog ID
STL095436
SMILES CCOC(=O)c1ccc(cc1)N1C=C(C(=O)c2ccc(cc2C)C)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 C26H22FNO5S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FNO5S/c1-4-33-26(30)18-6-9-20(10-7-18)28-15-24(25(29)21-11-5-16(2)13-17(21)3)34(31,32)23-12-8-19(27)14-22(23)28/h5-15H,4H2,1-3H3InChIKey
CNGOOFBOISLPLO-UHFFFAOYSA-NSynonyms
1114651-67-01114651670
CCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)C)C
ethyl4(2((24dimethylphenyl)carbonyl)6fluoro11dioxido4H14benzothiazin4yl)benzoate
ETHYL4(2(24DIMETHYLBENZOYL)6FLUORO11DIOXIDO4H14BENZOTHIAZIN4YL)BENZOATE
ETHYL4(2(24DIMETHYLBENZOYL)6FLUORO11DIOXIDO4HBENZO(B)(14)THIAZIN4YL)BENZOATE
ethyl4(2(24dimethylbenzoyl)6fluoro11dioxo1$l^(6)4benzothiazin4yl)benzoate
InChI=1SC26H22FNO5Sc143326(30)186920(10718)281524(25(29)2111516(2)1317(21)3)34(3132)2312819(27)1422(23)28h515H4H213H3
MFCD14953562
ZINC000032984428
ZINC32984428
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