Vitas-M small molecule compound
3-(4-methoxyphenyl)-8-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK852251
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1[N+](=O)[O-])c1ccc(cc1)OC
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-29-15-8-6-14(7-9-15)23-12-24-20(26)10-17(18(11-22)21(24)30-13-23)16-4-2-3-5-19(16)25(27)28/h2-9,17H,10,12-13H2,1H3InChIKey
XDIBIEONPMERBF-UHFFFAOYSA-NSynonyms
896090-76-93(4methoxyphenyl)8(2nitrophenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4methoxyphenyl)8(2nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4methoxyphenyl)8(2nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
896090769
COC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC21H18N4O4Sc129158614(7915)23122420(26)1017(18(1122)21(24)301323)16423519(16)25(27)28h2917H101213H21H3
MFCD06606328
N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1(N+)(=O)(O))c1ccc(cc1)OC
ZINC000002328042
ZINC000002328043
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