Vitas-M small molecule compound
3-(2,4-dimethoxyphenyl)-8-(3-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK849619
SMILES COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1)[N+](=O)[O-]
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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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-30-16-6-7-19(20(9-16)31-2)24-12-25-21(27)10-17(18(11-23)22(25)32-13-24)14-4-3-5-15(8-14)26(28)29/h3-9,17H,10,12-13H2,1-2H3InChIKey
MMQHRBIQDLCMAA-UHFFFAOYSA-NSynonyms
879473-94-63(24dimethoxyphenyl)8(3nitrophenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
3(24dimethoxyphenyl)8(3nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(24dimethoxyphenyl)8(3nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
879473946
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20N4O5Sc130166719(20(916)312)24122521(27)1017(18(1123)22(25)321324)1443515(814)26(28)29h3917H101213H212H3
MFCD06606847
ZINC000002330602
ZINC000002330605
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