Vitas-M small molecule compound
3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK086711
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1cccc(c1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)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 C34H29N3O9 MW 623.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N3O9/c1-41-29-17-24(18-30(42-2)31(29)43-3)34(40)46-25-11-7-8-22(14-25)19-35-37-33(39)26(36-32(38)23-9-5-4-6-10-23)15-21-12-13-27-28(16-21)45-20-44-27/h4-19H,20H2,1-3H3,(H,36,38)(H,37,39)/b26-15+,35-19+InChIKey
VTVFHPWRLRLVPS-GLKCZKFYSA-NSynonyms
(3((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)345trimethoxybenzoate
3((E)(2((2E)3(13BENZODIOXOL5YL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)PHENYL345TRIMETHOXYBENZOATE
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5
COc1cc(cc(c1OC)OC)C(=O)Oc1cccc(c1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC34H29N3O9c141291724(1830(422)31(29)433)34(40)4625117822(1425)19353733(39)26(3632(38)2395461023)152112132728(1621)45204427h419H20H213H3(H3638)(H3739)b2615+3519+
MFCD03033414
STK086711
ZINC000097959147
ZINC101489154
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