Vitas-M small molecule compound
3-[(4-{(Z)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK170409
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)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 C27H21BrN2O7 MW 565.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O7/c1-15-10-19(7-8-21(15)28)30-25(32)20(24(31)29-27(30)35)12-16-6-9-22(23(13-16)36-2)37-14-17-4-3-5-18(11-17)26(33)34/h3-13H,14H2,1-2H3,(H,33,34)(H,29,31,35)/b20-12-InChIKey
SYLNKNQZUGHCMH-NDENLUEZSA-NSynonyms
3((4((Z)(1(4bromo3methylphenyl)246trioxo13diazinan5ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
3((4((Z)(1(4BROMO3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)OC)C(=O)NC2=O)Br
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
InChI=1SC27H21BrN2O7c1151019(7821(15)28)3025(32)20(24(31)2927(30)35)12166922(23(1316)362)37141743518(1117)26(33)34h313H14H212H3(H3334)(H293135)b2012
MFCD02628950
ZINC000097960539
ZINC97960539
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