Vitas-M small molecule compound
3,9-bis(2,4-dimethoxyphenyl)-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
STK827066
SMILES COc1ccc(c(c1)OC)N1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)c1ccc(cc1OC)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 C34H34N6O5S MW 638.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N6O5S/c1-41-22-10-12-25(28(14-22)44-4)38-18-33(16-35)30(24-8-6-7-9-27(24)43-3)34(17-36,19-38)32(46)40-21-39(20-37-31(33)40)26-13-11-23(42-2)15-29(26)45-5/h6-15,30H,18-21H2,1-5H3InChIKey
HIDCSQSENUVNIG-UHFFFAOYSA-NSynonyms
39bis(24dimethoxyphenyl)12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC(=C(C=C1)N2CC3(C(C(C2)(C(=S)N4C3=NCN(C4)C5=C(C=C(C=C5)OC)OC)C#N)C6=CC=CC=C6OC)C#N)OC
InChI=1SC34H34N6O5Sc14122101225(28(1422)444)381833(1635)30(24867927(24)433)34(17361938)32(46)402139(203731(33)40)26131123(422)1529(26)455h61530H1821H215H3
MFCD10087185
ZINC000226624185
ZINC000245255402
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