Vitas-M small molecule compound
ethyl 4-(3-{(Z)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK175087
SMILES CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)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 C36H26BrN3O5 MW 660.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H26BrN3O5/c1-2-45-35(43)25-16-18-28(19-17-25)39-31(23-10-5-3-6-11-23)21-26(32(39)24-12-7-4-8-13-24)20-30-33(41)38-36(44)40(34(30)42)29-15-9-14-27(37)22-29/h3-22H,2H2,1H3,(H,38,41,44)/b30-20-InChIKey
MWJCFMMJLMKMMJ-COEJQBHMSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)NC(=O)N(C4=O)C5=CC(=CC=C5)Br)C6=CC=CC=C6
CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Br
ethyl4(3((Z)(1(3bromophenyl)246trioxo13diazinan5ylidene)methyl)25diphenylpyrrol1yl)benzoate
ETHYL4(3((Z)(1(3BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
InChI=1SC36H26BrN3O5c124535(43)25161828(191725)3931(23105361123)2126(32(39)24127481324)203033(41)3836(44)40(34(30)42)291591427(37)2229h322H2H21H3(H384144)b3020
MFCD02782253
ZINC000097960589
ZINC97960589
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.