Vitas-M small molecule compound
(2E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]-N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}prop-2-enamide
Catalog ID
STL118198
SMILES O=C(N(c1cccc(c1)c1nc2c([nH]1)cccc2)C(=O)/C=C/c1ccc(cc1)C(C)C)/C=C/c1ccc(cc1)C(C)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 C37H35N3O2 MW 553.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H35N3O2/c1-25(2)29-18-12-27(13-19-29)16-22-35(41)40(36(42)23-17-28-14-20-30(21-15-28)26(3)4)32-9-7-8-31(24-32)37-38-33-10-5-6-11-34(33)39-37/h5-26H,1-4H3,(H,38,39)/b22-16+,23-17+InChIKey
SJERKOUHTVAAAA-LKNRODPVSA-NSynonyms
(2E)N(3(1Hbenzimidazol2yl)phenyl)3(4(propan2yl)phenyl)N((2E)3(4(propan2yl)phenyl)prop2enoyl)prop2enamide
(E)N(3(1Hbenzimidazol2yl)phenyl)3(4propan2ylphenyl)N((E)3(4propan2ylphenyl)prop2enoyl)prop2enamide
CC(C)C1=CC=C(C=C1)C=CC(=O)N(C2=CC=CC(=C2)C3=NC4=CC=CC=C4N3)C(=O)C=CC5=CC=C(C=C5)C(C)C
InChI=1SC37H35N3O2c125(2)29181227(131929)162235(41)40(36(42)231728142030(211528)26(3)4)3297831(2432)37383310561134(33)3937h526H14H3(H3839)b2216+2317+
MFCD14857134
O=C(N(c1cccc(c1)c1nc2c((nH)1)cccc2)C(=O)C=Cc1ccc(cc1)C(C)C)C=Cc1ccc(cc1)C(C)C
ZINC000097964870
ZINC97964870
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