Vitas-M small molecule compound
12-(2-ethoxyphenyl)-3,9-bis(furan-2-ylmethyl)-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
STK886614
SMILES CCOc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)Cc1ccco1)Cc1ccco1
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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 C29H28N6O3S MW 540.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O3S/c1-2-36-24-10-4-3-9-23(24)25-28(15-30)17-33(13-21-7-5-11-37-21)18-29(25,16-31)27(39)35-20-34(19-32-26(28)35)14-22-8-6-12-38-22/h3-12,25H,2,13-14,17-20H2,1H3InChIKey
ZKXHHTUWANQJDN-UHFFFAOYSA-NSynonyms
12(2ethoxyphenyl)39bis(furan2ylmethyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
CCOC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)CC5=CC=CO5)C#N)CC6=CC=CO6)C#N
InChI=1SC29H28N6O3Sc1236241043923(24)2528(1530)1733(132175113721)1829(251631)27(39)352034(193226(28)35)142286123822h31225H213141720H21H3
MFCD10087202
ZINC000103519123
ZINC000103519125
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