Vitas-M small molecule compound
3,9-bis(2-ethylphenyl)-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
STK886606
SMILES CCc1ccccc1N1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)c1ccccc1CC)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 C34H34N6OS MW 574.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N6OS/c1-4-24-12-6-9-15-27(24)38-20-33(18-35)30(26-14-8-11-17-29(26)41-3)34(19-36,21-38)32(42)40-23-39(22-37-31(33)40)28-16-10-7-13-25(28)5-2/h6-17,30H,4-5,20-23H2,1-3H3InChIKey
PHIHYJLAFBYBSJ-UHFFFAOYSA-NSynonyms
39bis(2ethylphenyl)12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
CCC1=CC=CC=C1N2CC3(C(C(C2)(C(=S)N4C3=NCN(C4)C5=CC=CC=C5CC)C#N)C6=CC=CC=C6OC)C#N
InChI=1SC34H34N6OSc142412691527(24)382033(1835)30(26148111729(26)413)34(19362138)32(42)402339(223731(33)40)28161071325(28)52h61730H452023H213H3
MFCD10087189
ZINC000226624229
ZINC000245256340
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