Vitas-M small molecule compound
3-(3-chloro-2-methylphenyl)-8-(3-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827526
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)[N+](=O)[O-])c1cccc(c1C)Cl
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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/c1-13-18(22)6-3-7-19(13)24-11-25-20(27)9-16(17(10-23)21(25)30-12-24)14-4-2-5-15(8-14)26(28)29/h2-8,16H,9,11-12H2,1H3InChIKey
CCFKNQZVPWCBID-UHFFFAOYSA-NSynonyms
3(3chloro2methylphenyl)8(3nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chloro2methylphenyl)8(3nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=CC=C1Cl)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H17ClN4O3Sc11318(22)63719(13)24112520(27)916(17(1023)21(25)301224)1442515(814)26(28)29h2816H91112H21H3
MFCD10088015
N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)(N+)(=O)(O))c1cccc(c1C)Cl
ZINC000012251128
ZINC000012251129
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