Vitas-M small molecule compound
2-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK651399
SMILES COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)Cl
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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 C26H18ClN5O3 MW 483.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN5O3/c1-35-18-12-8-16(9-13-18)22-14-21(15-6-10-17(27)11-7-15)28-25-29-26(30-32(22)25)31-23(33)19-4-2-3-5-20(19)24(31)34/h2-14,22H,1H3,(H,28,29,30)InChIKey
NMFBQEVTSLVGBC-UHFFFAOYSA-NSynonyms
836642-03-62(5(4CHLOROPHENYL)7(4METHOXYPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)ISOINDOLE13DIONE
2(5(4chlorophenyl)7(4methoxyphenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)1Hisoindole13(2H)dione
836642036
COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)N4C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)Cl
COc1ccc(cc1)C1C=C(N=c2n1nc((nH)2)N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)Cl
InChI=1SC26H18ClN5O3c1351812816(91318)221421(1561017(27)11715)28252926(3032(22)25)3123(33)19423520(19)24(31)34h21422H1H3(H282930)
MFCD18165959
ZINC000101014339
ZINC000101014343
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