Vitas-M small molecule compound

3-(3-chloro-4-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
STK887178
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1[N+](=O)[O-])c1ccc(c(c1)Cl)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 C21H17ClN4O3S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3S/c1-13-6-7-14(8-18(13)22)24-11-25-20(27)9-16(17(10-23)21(25)30-12-24)15-4-2-3-5-19(15)26(28)29/h2-8,16H,9,11-12H2,1H3
InChIKey
WUUMWBQWCGUZAP-UHFFFAOYSA-N
Synonyms

3(3chloro4methylphenyl)8(2nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chloro4methylphenyl)8(2nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4(N+)(=O)(O))Cl
InChI=1SC21H17ClN4O3Sc1136714(818(13)22)24112520(27)916(17(1023)21(25)301224)15423519(15)26(28)29h2816H91112H21H3
MFCD10088000
N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1(N+)(=O)(O))c1ccc(c(c1)Cl)C
ZINC000012251120
ZINC000012251121

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Available files

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