Vitas-M small molecule compound

(5Z)-5-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK077107
SMILES Cc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)C(C)(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 C32H31N3O4 MW 521.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O4/c1-21-8-7-9-24(18-21)35-30(37)27(29(36)33-31(35)38)19-22-20-34(28-11-6-5-10-26(22)28)16-17-39-25-14-12-23(13-15-25)32(2,3)4/h5-15,18-20H,16-17H2,1-4H3,(H,33,36,38)/b27-19-
InChIKey
MYLPIMHAUWESOI-DIBXZPPDSA-N
Synonyms

(5Z)5((1(2(4TERTBUTYLPHENOXY)ETHYL)1HINDOL3YL)METHYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5((1(2(4TERTBUTYLPHENOXY)ETHYL)INDOL3YL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
5((1(2(4TERTBUTYLPHENOXY)ETHYL)1HINDOL3YL)METHYLENE)1(3METHYLPHENYL)246(1H3H5H)PYRIMIDINETRIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)C(C)(C)C)C(=O)NC2=O
Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cn(c3c2cccc3)CCOc2ccc(cc2)C(C)(C)C)C1=O
InChI=1SC32H31N3O4c12187924(1821)3530(37)27(29(36)3331(35)38)19222034(2811651026(22)28)16173925141223(131525)32(23)4h5151820H1617H214H3(H333638)b2719
MFCD02952552
STK077107
ZINC000008407801
ZINC08407801
ZINC8407801

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Available files

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