Vitas-M small molecule compound

(3E)-3-[4-(dimethylamino)benzylidene]-2-pentyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide

Catalog ID
STL441444
SMILES CCCCCN1/C(=C/c2ccc(cc2)N(C)C)/C(=O)c2c(S1(=O)=O)cccc2

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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 C22H26N2O3S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S/c1-4-5-8-15-24-20(16-17-11-13-18(14-12-17)23(2)3)22(25)19-9-6-7-10-21(19)28(24,26)27/h6-7,9-14,16H,4-5,8,15H2,1-3H3/b20-16+
InChIKey
GRGHCJJCMWTHOU-CAPFRKAQSA-N
Synonyms

(3E)3((4(dimethylamino)phenyl)methylidene)11dioxo2pentyl1$l^(6)2benzothiazin4one
(3E)3(4(dimethylamino)benzylidene)2pentyl23dihydro4H12benzothiazin4one11dioxide
CCCCCN1C(=CC2=CC=C(C=C2)N(C)C)C(=O)C3=CC=CC=C3S1(=O)=O
CCCCCN1C(=Cc2ccc(cc2)N(C)C)C(=O)c2c(S1(=O)=O)cccc2
InChI=1SC22H26N2O3Sc1458152420(1617111318(141217)23(2)3)22(25)199671021(19)28(2426)27h6791416H45815H213H3b2016+
MFCD08060315
ZINC000004915894
ZINC4915894

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Available files

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