Vitas-M small molecule compound

(5Z)-1-(4-bromophenyl)-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK093855
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)ccc2C(C)C)/C1=O

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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 C31H28BrN3O4 MW 586.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O4/c1-19(2)24-13-8-20(3)16-28(24)39-15-14-34-18-21(25-6-4-5-7-27(25)34)17-26-29(36)33-31(38)35(30(26)37)23-11-9-22(32)10-12-23/h4-13,16-19H,14-15H2,1-3H3,(H,33,36,38)/b26-17-
InChIKey
KRSCJMDAXKDTKU-ONUIUJJFSA-N
Synonyms

(5Z)1(4BROMOPHENYL)5((1(2(5METHYL2(PROPAN2YL)PHENOXY)ETHYL)1HINDOL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(4bromophenyl)5((1(2(5methyl2propan2ylphenoxy)ethyl)indol3yl)methylidene)13diazinane246trione
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cn(c3c2cccc3)CCOc2cc(C)ccc2C(C)C)C1=O
CC1=CC(=C(C=C1)C(C)C)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)Br
InChI=1SC31H28BrN3O4c119(2)2413820(3)1628(24)391514341821(25645727(25)34)172629(36)3331(38)35(30(26)37)2311922(32)101223h4131619H1415H213H3(H333638)b2617
MFCD05976157
STK093855
ZINC000097959244
ZINC97959244

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Available files

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