Vitas-M small molecule compound
3-(3-chloro-4-methylphenyl)-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827414
SMILES COc1cccc(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccc(c(c1)Cl)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 C22H20ClN3O2S MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O2S/c1-14-6-7-16(9-20(14)23)25-12-26-21(27)10-18(19(11-24)22(26)29-13-25)15-4-3-5-17(8-15)28-2/h3-9,18H,10,12-13H2,1-2H3InChIKey
VAVGOLLRMQVHSI-UHFFFAOYSA-NSynonyms
3(3chloro4methylphenyl)8(3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chloro4methylphenyl)8(3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)OC)Cl
InChI=1SC22H20ClN3O2Sc1146716(920(14)23)25122621(27)1018(19(1124)22(26)291325)1543517(815)282h3918H101213H212H3
MFCD10087787
ZINC000009693345
ZINC000009693346
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