Vitas-M small molecule compound
5-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK521321
SMILES CCOc1cc(cc(c1OCc1ccccc1)Br)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 C29H25BrN2O3S MW 561.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN2O3S/c1-2-33-26-16-20(15-22(30)28(26)34-18-19-9-4-3-5-10-19)29-32-24(21-11-6-7-12-25(21)35-29)17-23(31-32)27-13-8-14-36-27/h3-16,24,29H,2,17-18H2,1H3InChIKey
GPOBUOSOPWZWDY-UHFFFAOYSA-NSynonyms
5(3bromo5ethoxy4phenylmethoxyphenyl)2thiophen2yl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
5(4(benzyloxy)3bromo5ethoxyphenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
CCOC1=C(C(=CC(=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)Br)OCC6=CC=CC=C6
InChI=1SC29H25BrN2O3Sc1233261620(1522(30)28(26)34181994351019)293224(2111671225(21)3529)1723(3132)27138143627h3162429H21718H21H3
MFCD04230820
ZINC000101011616
ZINC000104132297
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