Vitas-M small molecule compound
12-(2-methoxyphenyl)-3,9-bis(4-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
STK886600
SMILES COc1ccc(cc1)N1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)c1ccc(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 C32H30N6O3S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N6O3S/c1-39-24-12-8-22(9-13-24)36-18-31(16-33)28(26-6-4-5-7-27(26)41-3)32(17-34,19-36)30(42)38-21-37(20-35-29(31)38)23-10-14-25(40-2)15-11-23/h4-15,28H,18-21H2,1-3H3InChIKey
ILAWBQMASFFURK-UHFFFAOYSA-NSynonyms
12(2methoxyphenyl)39bis(4methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=C(C=C1)N2CC3(C(C(C2)(C(=S)N4C3=NCN(C4)C5=CC=C(C=C5)OC)C#N)C6=CC=CC=C6OC)C#N
InChI=1SC32H30N6O3Sc1392412822(91324)361831(1633)28(26645727(26)413)32(17341936)30(42)382137(203529(31)38)23101425(402)151123h41528H1821H213H3
MFCD10087178
ZINC000226624128
ZINC000245255463
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