Vitas-M small molecule compound

3-(3-methylphenyl)-8-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK886833
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1[N+](=O)[O-])c1cccc(c1)C

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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-14-5-4-6-15(9-14)23-12-24-20(26)10-17(18(11-22)21(24)29-13-23)16-7-2-3-8-19(16)25(27)28/h2-9,17H,10,12-13H2,1H3
InChIKey
YBBDBVUMWRDYLP-UHFFFAOYSA-N
Synonyms

3(3methylphenyl)8(2nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3methylphenyl)8(2nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC(=CC=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC21H18N4O3Sc11454615(914)23122420(26)1017(18(1122)21(24)291323)16723819(16)25(27)28h2917H101213H21H3
MFCD10087428
N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1(N+)(=O)(O))c1cccc(c1)C
ZINC000012250912
ZINC000012250913

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Available files

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