Vitas-M small molecule compound
(1E)-N-{[14-(3,4-dimethoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-(thiophen-2-yl)ethanimine
Catalog ID
STK598231
SMILES COc1ccc(cc1OC)C1c2c(ncn3c2nc(n3)CO/N=C(/c2cccs2)\C)Oc2c1ccc1c2cccc1
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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 C31H25N5O4S MW 563.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O4S/c1-18(25-9-6-14-41-25)35-39-16-26-33-30-28-27(20-11-13-23(37-2)24(15-20)38-3)22-12-10-19-7-4-5-8-21(19)29(22)40-31(28)32-17-36(30)34-26/h4-15,17,27H,16H2,1-3H3/b35-18+InChIKey
LIUKMXSOKVQRAD-MWBNBJEGSA-NSynonyms
(1E)N((14(34dimethoxyphenyl)14Hbenzo(78)chromeno(32e)(124)triazolo(15c)pyrimidin2yl)methoxy)1(thiophen2yl)ethanimine
(E)1(thiophen2yl)ethanoneO((14(34dimethoxyphenyl)14Hbenzo(78)chromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
CC(=NOCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)C5=CC=CC=C5C=C4)C6=CC(=C(C=C6)OC)OC)C7=CC=CS7
COc1ccc(cc1OC)C1c2c(ncn3c2nc(n3)CON=C(c2cccs2)C)Oc2c1ccc1c2cccc1
InChI=1SC31H25N5O4Sc118(2596144125)3539162633302827(20111323(372)24(1520)383)22121019745821(19)29(22)4031(28)321736(30)3426h4151727H16H213H3b3518+
MFCD04172759
ZINC000097968395
ZINC000097968396
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