Vitas-M small molecule compound
3,9-bis(4-bromophenyl)-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
STK827065
SMILES COc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)c1ccc(cc1)Br)c1ccc(cc1)Br
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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 C30H24Br2N6OS MW 676.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24Br2N6OS/c1-39-25-5-3-2-4-24(25)26-29(14-33)16-36(22-10-6-20(31)7-11-22)17-30(26,15-34)28(40)38-19-37(18-35-27(29)38)23-12-8-21(32)9-13-23/h2-13,26H,16-19H2,1H3InChIKey
XDCYKGLGNQBZBJ-UHFFFAOYSA-NSynonyms
39bis(4bromophenyl)12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)C5=CC=C(C=C5)Br)C#N)C6=CC=C(C=C6)Br)C#N
InChI=1SC30H24Br2N6OSc13925532424(25)2629(1433)1636(2210620(31)71122)1730(261534)28(40)381937(183527(29)38)2312821(32)91323h21326H1619H21H3
MFCD10087183
ZINC000150661716
ZINC000150661717
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