Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-1-{4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STK875516
SMILES COc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)c1ncnc2c1c(cn2c1ccc(cc1)OC)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 C33H31N5O3 MW 545.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O3/c1-40-27-13-8-24(9-14-27)10-17-30(39)36-18-20-37(21-19-36)32-31-29(25-6-4-3-5-7-25)22-38(33(31)35-23-34-32)26-11-15-28(41-2)16-12-26/h3-17,22-23H,18-21H2,1-2H3/b17-10+InChIKey
AJNZWSAFZAZOHP-LICLKQGHSA-NSynonyms
(2E)3(4methoxyphenyl)1(4(7(4methoxyphenyl)5phenyl7Hpyrrolo(23d)pyrimidin4yl)piperazin1yl)prop2en1one
(2E)3(4METHOXYPHENYL)1(4(7(4METHOXYPHENYL)5PHENYLPYRROLO(32E)PYRIMIDIN4YL)PIPERAZINYL)PROP2EN1ONE
(E)3(4methoxyphenyl)1(4(7(4methoxyphenyl)5phenylpyrrolo(23d)pyrimidin4yl)piperazin1yl)prop2en1one
COC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)OC)C6=CC=CC=C6
COc1ccc(cc1)C=CC(=O)N1CCN(CC1)c1ncnc2c1c(cn2c1ccc(cc1)OC)c1ccccc1
InChI=1SC33H31N5O3c1402713824(91427)101730(39)36182037(211936)323129(256435725)2238(33(31)35233432)26111528(412)161226h3172223H1821H212H3b1710+
MFCD09762797
ZINC000101215793
ZINC101215793
Check stock
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Check stock on Vitas-MAvailable files
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