Vitas-M small molecule compound
1,3-dioxo-N-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-2-[3-({3-[(2E)-3-phenylprop-2-enoyl]phenyl}carbamoyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK060514
SMILES O=C1N(c2cccc(c2)C(=O)Nc2cccc(c2)C(=O)/C=C/c2ccccc2)C(=O)c2c1ccc(c2)C(=O)Nc1cccc(c1)C(=O)/C=C/c1ccccc1
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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 C46H31N3O6 MW 721.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H31N3O6/c50-41(24-20-30-10-3-1-4-11-30)32-14-7-17-36(26-32)47-43(52)34-16-9-19-38(28-34)49-45(54)39-23-22-35(29-40(39)46(49)55)44(53)48-37-18-8-15-33(27-37)42(51)25-21-31-12-5-2-6-13-31/h1-29H,(H,47,52)(H,48,53)/b24-20+,25-21+InChIKey
AICUUDJNYKHZJC-CTWPWMDCSA-NSynonyms
13DIOXON(3((2E)3PHENYLPROP2ENOYL)PHENYL)2(3((3((2E)3PHENYLPROP2ENOYL)PHENYL)CARBAMOYL)PHENYL)23DIHYDRO1HISOINDOLE5CARBOXAMIDE
13DIOXON(3((E)3PHENYLPROP2ENOYL)PHENYL)2(3((3((E)3PHENYLPROP2ENOYL)PHENYL)CARBAMOYL)PHENYL)ISOINDOLE5CARBOXAMIDE
C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)NC6=CC=CC(=C6)C(=O)C=CC7=CC=CC=C7
InChI=1SC46H31N3O6c5041(242030103141130)321471736(2632)4743(52)341691938(2834)4945(54)39232235(2940(39)46(49)55)44(53)48371881533(2737)42(51)252131125261331h129H(H4752)(H4853)b2420+2521+
MFCD00304592
O=C1N(c2cccc(c2)C(=O)Nc2cccc(c2)C(=O)C=Cc2ccccc2)C(=O)c2c1ccc(c2)C(=O)Nc1cccc(c1)C(=O)C=Cc1ccccc1
STK060514
ZINC000097958798
ZINC97958798
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