Vitas-M small molecule compound

3-(4-butylphenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK827342
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)SC

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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 C25H27N3OS2 MW 449.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3OS2/c1-3-4-5-18-6-10-20(11-7-18)27-16-28-24(29)14-22(23(15-26)25(28)31-17-27)19-8-12-21(30-2)13-9-19/h6-13,22H,3-5,14,16-17H2,1-2H3
InChIKey
SHIUKGSPLMAHNF-UHFFFAOYSA-N
Synonyms

3(4butylphenyl)8(4(methylsulfanyl)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4butylphenyl)8(4methylsulfanylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCCCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)SC
InChI=1SC25H27N3OS2c13451861020(11718)27162824(29)1422(23(1526)25(28)311727)1981221(302)13919h61322H35141617H212H3
MFCD10087654
ZINC000012251032
ZINC000012251033

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Available files

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