Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 2-iodobenzoate
Catalog ID
STK672044
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(cc1)OC(=O)c1ccccc1I
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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 C31H22IN3O6 MW 659.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22IN3O6/c32-25-9-5-4-8-24(25)31(38)41-23-13-10-20(11-14-23)18-33-35-30(37)26(34-29(36)22-6-2-1-3-7-22)16-21-12-15-27-28(17-21)40-19-39-27/h1-18H,19H2,(H,34,36)(H,35,37)/b26-16+,33-18+InChIKey
DOSYMQJMVWPTAQ-USKNDPDESA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)2iodobenzoate
4((E)(2((2E)3(13BENZODIOXOL5YL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)PHENYL2IODOBENZOATE
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I)NC(=O)C5=CC=CC=C5
InChI=1SC31H22IN3O6c3225954824(25)31(38)4123131020(111423)18333530(37)26(3429(36)226213722)162112152728(1721)40193927h118H19H2(H3436)(H3537)b2616+3318+
MFCD00822268
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(cc1)OC(=O)c1ccccc1I
ZINC000150352770
ZINC150610891
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