Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-[4-(dimethylamino)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 4-tert-butylbenzoate
Catalog ID
STK150797
SMILES CN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)/NC(=O)c1ccccc1)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 C36H36N4O4 MW 588.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N4O4/c1-36(2,3)29-17-15-28(16-18-29)35(43)44-31-21-13-26(14-22-31)24-37-39-34(42)32(38-33(41)27-9-7-6-8-10-27)23-25-11-19-30(20-12-25)40(4)5/h6-24H,1-5H3,(H,38,41)(H,39,42)/b32-23+,37-24+InChIKey
VPHUIUSYIJSCBI-LJZVORNLSA-NSynonyms
(4((E)(((E)2benzamido3(4(dimethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)phenyl)4tertbutylbenzoate
4((E)(2((2E)3(4(DIMETHYLAMINO)PHENYL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)PHENYL4TERTBUTYLBENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C(=CC3=CC=C(C=C3)N(C)C)NC(=O)C4=CC=CC=C4
CN(c1ccc(cc1)C=C(C(=O)NN=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)NC(=O)c1ccccc1)C
InChI=1SC36H36N4O4c136(23)29171528(161829)35(43)4431211326(142231)24373934(42)32(3833(41)2797681027)2325111930(201225)40(4)5h624H15H3(H3841)(H3942)b3223+3724+
MFCD01146862
ZINC000097960473
ZINC101626830
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