Vitas-M small molecule compound

(5Z)-1-(4-bromophenyl)-5-{(phenylamino)[(2,3,4-trimethoxybenzyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL447904
SMILES COc1ccc(c(c1OC)OC)CN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)/Nc1ccccc1

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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 C27H25BrN4O6 MW 581.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN4O6/c1-36-20-14-9-16(22(37-2)23(20)38-3)15-29-24(30-18-7-5-4-6-8-18)21-25(33)31-27(35)32(26(21)34)19-12-10-17(28)11-13-19/h4-14,29-30H,15H2,1-3H3,(H,31,33,35)/b24-21-
InChIKey
BCSSYAOSZWDANS-FLFQWRMESA-N
Synonyms

(5Z)1(4bromophenyl)5((phenylamino)((234trimethoxybenzyl)amino)methylidene)pyrimidine246(1H3H5H)trione
(5Z)5(anilino((234trimethoxyphenyl)methylamino)methylidene)1(4bromophenyl)13diazinane246trione
COC1=C(C(=C(C=C1)CNC(=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)NC4=CC=CC=C4)OC)OC
COc1ccc(c(c1OC)OC)CNC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)Nc1ccccc1
InChI=1SC27H25BrN4O6c1362014916(22(372)23(20)383)152924(30187546818)2125(33)3127(35)32(26(21)34)19121017(28)111319h4142930H15H213H3(H313335)b2421
MFCD08273257
ZINC000008757690
ZINC8757690

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Available files

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