Vitas-M small molecule compound

(3E)-3-{[(5-chloro-2,4-dimethoxyphenyl)amino]methylidene}-1-(4-methylbenzyl)-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide

Catalog ID
STL092706
SMILES COc1cc(OC)c(cc1N/C=C/1\C(=O)c2ccccc2N(S1(=O)=O)Cc1ccc(cc1)C)Cl

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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 C25H23ClN2O5S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O5S/c1-16-8-10-17(11-9-16)15-28-21-7-5-4-6-18(21)25(29)24(34(28,30)31)14-27-20-12-19(26)22(32-2)13-23(20)33-3/h4-14,27H,15H2,1-3H3/b24-14+
InChIKey
XOTMHEGQJLGLPS-ZVHZXABRSA-N
Synonyms
893312-13-5
(3E)3(((5chloro24dimethoxyphenyl)amino)methylidene)1(4methylbenzyl)1H21benzothiazin4(3H)one22dioxide
(3E)3((5chloro24dimethoxyanilino)methylidene)1((4methylphenyl)methyl)22dioxo2$l^(6)1benzothiazin4one
893312135
CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C(=CNC4=CC(=C(C=C4OC)OC)Cl)S2(=O)=O
COc1cc(OC)c(cc1NC=C1C(=O)c2ccccc2N(S1(=O)=O)Cc1ccc(cc1)C)Cl
InChI=1SC25H23ClN2O5Sc11681017(11916)152821754618(21)25(29)24(34(2830)31)1427201219(26)22(322)1323(20)333h41427H15H213H3b2414+
MFCD14914689
ZINC000020558826
ZINC20558826

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Available files

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