Vitas-M small molecule compound
3,9-bis(4-methoxybenzyl)-12-(2-methoxyphenyl)-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
STK827067
SMILES COc1ccc(cc1)CN1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)Cc1ccc(cc1)OC)c1ccccc1OC)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 C34H34N6O3S MW 606.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N6O3S/c1-41-26-12-8-24(9-13-26)16-38-20-33(18-35)30(28-6-4-5-7-29(28)43-3)34(19-36,21-38)32(44)40-23-39(22-37-31(33)40)17-25-10-14-27(42-2)15-11-25/h4-15,30H,16-17,20-23H2,1-3H3InChIKey
IGJNTMQWZACFCA-UHFFFAOYSA-NSynonyms
39bis(4methoxybenzyl)12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=C(C=C1)CN2CC3(C(C(C2)(C(=S)N4C3=NCN(C4)CC5=CC=C(C=C5)OC)C#N)C6=CC=CC=C6OC)C#N
InChI=1SC34H34N6O3Sc1412612824(91326)16382033(1835)30(28645729(28)433)34(19362138)32(44)402339(223731(33)40)1725101427(422)151125h41530H16172023H213H3
MFCD10087187
ZINC000226624211
ZINC000245255445
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