Vitas-M small molecule compound
3-(4-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
STK886828
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)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/c1-14-5-7-16(8-6-14)23-12-24-20(26)10-18(19(11-22)21(24)29-13-23)15-3-2-4-17(9-15)25(27)28/h2-9,18H,10,12-13H2,1H3InChIKey
ULPARTGDBZQVCR-UHFFFAOYSA-NSynonyms
3(4methylphenyl)8(3nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4methylphenyl)8(3nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H18N4O3Sc1145716(8614)23122420(26)1018(19(1122)21(24)291323)1532417(915)25(27)28h2918H101213H21H3
MFCD10087421
N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)C
ZINC000012250906
ZINC000012250907
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