Vitas-M small molecule compound
3,7,8-tris(4-chlorophenyl)-3,4,7,8-tetrahydro-2H,6H-pyrimido[6,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886075
SMILES N#CC1=C2SCN(CN2CN(C1c1ccc(cc1)Cl)c1ccc(cc1)Cl)c1ccc(cc1)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 C25H19Cl3N4S MW 513.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl3N4S/c26-18-3-1-17(2-4-18)24-23(13-29)25-30(15-32(24)22-11-7-20(28)8-12-22)14-31(16-33-25)21-9-5-19(27)6-10-21/h1-12,24H,14-16H2InChIKey
ROBZDLAGDCCYLH-UHFFFAOYSA-NSynonyms
378tris(4chlorophenyl)2468tetrahydropyrimido(61b)(135)thiadiazine9carbonitrile378tris(4chlorophenyl)3478tetrahydro2H6Hpyrimido(61b)(135)thiadiazine9carbonitrile
C1N2CN(C(C(=C2SCN1C3=CC=C(C=C3)Cl)C#N)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
Registry IDs
MFCD18172017ZINC000035682045
ZINC000035682046
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