Vitas-M small molecule compound
3-(2,4-dimethoxyphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886802
SMILES COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(c(c1)OC)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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-29-15-5-6-18(20(9-15)30-2)25-12-26-22(28)10-16(17(11-24)23(26)32-13-25)14-4-7-19(27)21(8-14)31-3/h4-9,16,27H,10,12-13H2,1-3H3InChIKey
JABKGVZNSDIORC-UHFFFAOYSA-NSynonyms
3(24dimethoxyphenyl)8(4hydroxy3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(24dimethoxyphenyl)8(4hydroxy3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)O)OC)OC
InChI=1SC23H23N3O5Sc129155618(20(915)302)25122622(28)1016(17(1124)23(26)321325)144719(27)21(814)313h491627H101213H213H3
MFCD14762394
ZINC000009693230
ZINC000009693231
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