Vitas-M small molecule compound

9a-{(E)-2-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one

Catalog ID
STL048071
SMILES COc1ccc(cc1Cl)c1nn(cc1/C=C/C12NC(=O)CN1c1c(C2(C)C)cc(cc1)C)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 C31H29ClN4O2 MW 525.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O2/c1-20-10-12-26-24(16-20)30(2,3)31(33-28(37)19-35(26)31)15-14-22-18-36(23-8-6-5-7-9-23)34-29(22)21-11-13-27(38-4)25(32)17-21/h5-18H,19H2,1-4H3,(H,33,37)/b15-14+
InChIKey
DYYVTGDUHMWEJB-CCEZHUSRSA-N
Synonyms
1010865-04-9
(E)9a(2(3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)vinyl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
1010865049
3A((E)2(3(3CHLORO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)ETHENYL)446TRIMETHYL13DIHYDROIMIDAZO(12A)INDOL2ONE
9a((E)2(3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)ethenyl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
CC1=CC2=C(C=C1)N3CC(=O)NC3(C2(C)C)C=CC4=CN(N=C4C5=CC(=C(C=C5)OC)Cl)C6=CC=CC=C6
COc1ccc(cc1Cl)c1nn(cc1C=CC12NC(=O)CN1c1c(C2(C)C)cc(cc1)C)c1ccccc1
InChI=1SC31H29ClN4O2c12010122624(1620)30(23)31(3328(37)1935(26)31)1514221836(238657923)3429(22)21111327(384)25(32)1721h518H19H214H3(H3337)b1514+
MFCD06598761
ZINC000002215648
ZINC000009266973

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Available files

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