Vitas-M small molecule compound
3-(4-butylphenyl)-8-(4-ethoxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886980
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(c(c1)OC)OCC
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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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-4-6-7-19-8-11-21(12-9-19)29-17-30-26(31)15-22(23(16-28)27(30)34-18-29)20-10-13-24(33-5-2)25(14-20)32-3/h8-14,22H,4-7,15,17-18H2,1-3H3InChIKey
QMVRJHADAMUJKF-UHFFFAOYSA-NSynonyms
3(4butylphenyl)8(4ethoxy3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4butylphenyl)8(4ethoxy3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCCCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)OCC)OC
InChI=1SC27H31N3O3Sc14671981121(12919)29173026(31)1522(23(1628)27(30)341829)20101324(3352)25(1420)323h81422H47151718H213H3
MFCD10087689
ZINC000009693553
ZINC000009693554
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