Vitas-M small molecule compound
3-[1,1-dioxido-2-(piperidin-1-ylcarbonyl)-4H-1,4-benzothiazin-4-yl]benzonitrile
Catalog ID
STL097999
SMILES N#Cc1cccc(c1)N1C=C(C(=O)N2CCCCC2)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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c22-14-16-7-6-8-17(13-16)24-15-20(21(25)23-11-4-1-5-12-23)28(26,27)19-10-3-2-9-18(19)24/h2-3,6-10,13,15H,1,4-5,11-12H2InChIKey
PLWRFAGHXPHCEY-UHFFFAOYSA-NSynonyms
1251688-50-21251688502
3(11dioxido2(piperidin1ylcarbonyl)4H14benzothiazin4yl)benzonitrile
3(11DIOXIDO2(PIPERIDINE1CARBONYL)4HBENZO(B)(14)THIAZIN4YL)BENZONITRILE
3(11dioxo2(piperidine1carbonyl)1$l^(6)4benzothiazin4yl)benzonitrile
C1CCN(CC1)C(=O)C2=CN(C3=CC=CC=C3S2(=O)=O)C4=CC=CC(=C4)C#N
InChI=1SC21H19N3O3Sc22141676817(1316)241520(21(25)23114151223)28(2627)191032918(19)24h236101315H1451112H2
MFCD16635778
ZINC000048988457
ZINC48988457
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