Vitas-M small molecule compound

5-({1,1-dioxido-3-(phenylcarbonyl)-4-[(phenylcarbonyl)oxy]-2H-1,2-benzothiazin-2-yl}methyl)quinolin-8-yl benzoate

Catalog ID
STL447832
SMILES O=C(c1ccccc1)OC1=C(C(=O)c2ccccc2)N(Cc2ccc(c3c2cccn3)OC(=O)c2ccccc2)S(=O)(=O)c2c1cccc2

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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 C39H26N2O7S MW 666.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H26N2O7S/c42-36(26-13-4-1-5-14-26)35-37(48-39(44)28-17-8-3-9-18-28)31-19-10-11-21-33(31)49(45,46)41(35)25-29-22-23-32(34-30(29)20-12-24-40-34)47-38(43)27-15-6-2-7-16-27/h1-24H,25H2
InChIKey
LMDNRVOLXZGWPZ-UHFFFAOYSA-N
Synonyms

(5((3BENZOYL4BENZOYLOXY11DIOXO1
(5((3benzoyl4benzoyloxy11dioxo1$l^(6)2benzothiazin2yl)methyl)quinolin8yl)benzoate
5((11dioxido3(phenylcarbonyl)4((phenylcarbonyl)oxy)2H12benzothiazin2yl)methyl)quinolin8ylbenzoate
C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2CC4=C5C=CC=NC5=C(C=C4)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI=1SC39H26N2O7Sc4236(26134151426)3537(4839(44)28178391828)311910112133(31)49(4546)41(35)2529222332(3430(29)2012244034)4738(43)27156271627h124H25H2
MFCD06244089
ZINC000150347906
ZINC150347906

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Available files

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