Vitas-M small molecule compound
4-({2-[(Z)-(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK165294
SMILES O=C(CN1C(=O)N/C(=C\c2ccccc2OCc2ccc(cc2)C(=O)O)/C1=O)Nc1ccc(cc1)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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-17-6-12-21(13-7-17)28-24(31)15-30-25(32)22(29-27(30)35)14-20-4-2-3-5-23(20)36-16-18-8-10-19(11-9-18)26(33)34/h2-14H,15-16H2,1H3,(H,28,31)(H,29,35)(H,33,34)/b22-14-InChIKey
AAHSRQGNZHQWLI-HMAPJEAMSA-NSynonyms
4((2((1((N(4METHYLPHENYL)CARBAMOYL)METHYL)25DIOXO13DIAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((Z)(1(2((4METHYLPHENYL)AMINO)2OXOETHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((Z)(1(2(4METHYLANILINO)2OXOETHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)NC2=O
InChI=1SC27H23N3O6c11761221(13717)2824(31)153025(32)22(2927(30)35)1420423523(20)36161881019(11918)26(33)34h214H1516H21H3(H2831)(H2935)(H3334)b2214
MFCD03729564
O=C(CN1C(=O)NC(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C1=O)Nc1ccc(cc1)C
ZINC000009259062
ZINC9259062
Check stock
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Check stock on Vitas-MAvailable files
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