Vitas-M small molecule compound
12-(2-chlorophenyl)-3,9-bis(furan-2-ylmethyl)-6-thioxo-3,4,9,10-tetrahydro-2H-7,11-methano[1,3,5]triazino[1,2-a][1,5]diazocine-7,11(6H,8H)-dicarbonitrile
Catalog ID
STK827071
SMILES N#CC12CN(Cc3ccco3)CC(C2c2ccccc2Cl)(C2=NCN(CN2C1=S)Cc1ccco1)C#N
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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 C27H23ClN6O2S MW 531.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN6O2S/c28-22-8-2-1-7-21(22)23-26(13-29)15-32(11-19-5-3-9-35-19)16-27(23,14-30)25(37)34-18-33(17-31-24(26)34)12-20-6-4-10-36-20/h1-10,23H,11-12,15-18H2InChIKey
DPYLGFFDMCDWQV-UHFFFAOYSA-NSynonyms
12(2chlorophenyl)39bis(furan2ylmethyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
C1C2(C(C(CN1CC3=CC=CO3)(C(=S)N4C2=NCN(C4)CC5=CC=CO5)C#N)C6=CC=CC=C6Cl)C#N
InChI=1SC27H23ClN6O2Sc2822821721(22)2326(1329)1532(11195393519)1627(231430)25(37)341833(173124(26)34)122064103620h11023H11121518H2
MFCD10087198
ZINC000102809419
ZINC000102809420
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