Vitas-M small molecule compound

methyl 4-(3-cyanophenyl)-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide

Catalog ID
STL096088
SMILES N#Cc1cccc(c1)N1C=C(C(=O)OC)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 C17H12N2O4S MW 340.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O4S/c1-23-17(20)16-11-19(13-6-4-5-12(9-13)10-18)14-7-2-3-8-15(14)24(16,21)22/h2-9,11H,1H3
InChIKey
JGYVSTCTCRVNIK-UHFFFAOYSA-N
Synonyms
1291861-82-9
1291861829
COC(=O)C1=CN(C2=CC=CC=C2S1(=O)=O)C3=CC=CC(=C3)C#N
InChI=1SC17H12N2O4Sc12317(20)161119(1364512(913)1018)14723815(14)24(1621)22h2911H1H3
methyl4(3cyanophenyl)11dioxo1$l^(6)4benzothiazine2carboxylate
methyl4(3cyanophenyl)4H14benzothiazine2carboxylate11dioxide
METHYL4(3CYANOPHENYL)4HBENZO(B)(14)THIAZINE2CARBOXYLATE11DIOXIDE
MFCD18788365
ZINC000064979288
ZINC64979288

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.