Vitas-M small molecule compound
3',9'-bis(4-methoxybenzyl)-6'-thioxo-3',4',9',10'-tetrahydro-2'H-spiro[cyclohexane-1,12'-[1,3,5,9]tetraaza[7,11]methano[1,3,5]triazino[1,2-a][1,5]diazocine]-7',11'(6'H,8'H)-dicarbonitrile
Catalog ID
STK827059
SMILES COc1ccc(cc1)CN1CN=C2N(C1)C(=S)C1(C3(C2(C#N)CN(C1)Cc1ccc(cc1)OC)CCCCC3)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 C32H36N6O2S MW 568.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N6O2S/c1-39-26-10-6-24(7-11-26)16-36-20-30(18-33)28-35-22-37(17-25-8-12-27(40-2)13-9-25)23-38(28)29(41)31(19-34,21-36)32(30)14-4-3-5-15-32/h6-13H,3-5,14-17,20-23H2,1-2H3InChIKey
NWWLEBCBYMQMEF-UHFFFAOYSA-NSynonyms
39bis(4methoxybenzyl)6thioxo34910tetrahydro2Hspiro(cyclohexane112(1359)tetraaza(711)methano(135)triazino(12a)(15)diazocine)711(6H8H)dicarbonitrile
COC1=CC=C(C=C1)CN2CC3(C4=NCN(CN4C(=S)C(C2)(C35CCCCC5)C#N)CC6=CC=C(C=C6)OC)C#N
InChI=1SC32H36N6O2Sc1392610624(71126)16362030(1833)28352237(172581227(402)13925)2338(28)29(41)31(19342136)32(30)144351532h613H3514172023H212H3
MFCD10087171
ZINC000102809406
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