Vitas-M small molecule compound
5-[4-(benzyloxy)-3-ethoxyphenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK522177
SMILES CCOc1cc(ccc1OCc1ccccc1)C1Oc2ccccc2C2N1N=C(C2)c1cccs1
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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 C29H26N2O3S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O3S/c1-2-32-27-17-21(14-15-26(27)33-19-20-9-4-3-5-10-20)29-31-24(22-11-6-7-12-25(22)34-29)18-23(30-31)28-13-8-16-35-28/h3-17,24,29H,2,18-19H2,1H3InChIKey
MSANLXPMQZCFGE-UHFFFAOYSA-NSynonyms
5(3ethoxy4phenylmethoxyphenyl)2thiophen2yl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
5(4(benzyloxy)3ethoxyphenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
CCOC1=C(C=CC(=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)OCC6=CC=CC=C6
InChI=1SC29H26N2O3Sc1232271721(141526(27)33192094351020)293124(2211671225(22)3429)1823(3031)28138163528h3172429H21819H21H3
MFCD13370998
ZINC000036245374
ZINC000105688952
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