Vitas-M small molecule compound
ethyl 7-{4-[(3,4-dichlorobenzyl)oxy]phenyl}-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK131967
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(cc1)OCc1ccc(c(c1)Cl)Cl)ncn2)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 C27H22Cl2N4O3 MW 521.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N4O3/c1-2-35-26(34)23-24(18-6-4-3-5-7-18)32-27-30-16-31-33(27)25(23)19-9-11-20(12-10-19)36-15-17-8-13-21(28)22(29)14-17/h3-14,16,25H,2,15H2,1H3,(H,30,31,32)InChIKey
AAVRXTUQIWNEFW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
ETHYL7(4((34DICHLOROBENZYL)OXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4((34DICHLOROPHENYL)METHOXY)PHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4(34DICHLOROBENZYLOXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H22Cl2N4O3c123526(34)2324(186435718)322730163133(27)25(23)1991120(121019)36151781321(28)22(29)1417h3141625H215H21H3(H303132)
MFCD04511746
ZINC000003770927
ZINC000003770928
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