Vitas-M small molecule compound
(5E)-5-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(3-chloro-4-methylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL045217
SMILES O=C1N=C(O)/C(=C\c2cccn2CCOc2ccc(cc2)C(C)(C)C)/C(=O)N1c1ccc(c(c1)Cl)C
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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 C28H28ClN3O4 MW 506.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O4/c1-18-7-10-21(17-24(18)29)32-26(34)23(25(33)30-27(32)35)16-20-6-5-13-31(20)14-15-36-22-11-8-19(9-12-22)28(2,3)4/h5-13,16-17H,14-15H2,1-4H3,(H,30,33,35)/b23-16+InChIKey
HMVWJXZHEDQVDV-XQNSMLJCSA-NSynonyms
672321-51-6(5E)5((1(2(4tertbutylphenoxy)ethyl)1Hpyrrol2yl)methylidene)3(3chloro4methylphenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5((1(2(4TERTBUTYLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(3CHLORO4METHYLPHENYL)13DIAZINANE246TRIONE
672321516
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCOC4=CC=C(C=C4)C(C)(C)C)C(=O)NC2=O)Cl
InChI=1SC28H28ClN3O4c11871021(1724(18)29)3226(34)23(25(33)3027(32)35)1620651331(20)1415362211819(91222)28(23)4h5131617H1415H214H3(H303335)b2316+
MFCD04073929
O=C1N=C(O)C(=Cc2cccn2CCOc2ccc(cc2)C(C)(C)C)C(=O)N1c1ccc(c(c1)Cl)C
ZINC000009458507
ZINC9458507
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