Vitas-M small molecule compound
2-[8-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoic acid
Catalog ID
STK335053
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccccc2C(=O)O)ncn1
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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 C25H24N4O6 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6/c1-33-19-10-14(11-20(34-2)23(19)35-3)13-8-17-21(18(30)9-13)22(29-25(28-17)26-12-27-29)15-6-4-5-7-16(15)24(31)32/h4-7,10-13,22H,8-9H2,1-3H3,(H,31,32)(H,26,27,28)InChIKey
SGCLWZXUMJLFLQ-UHFFFAOYSA-NSynonyms
2(8oxo6(345trimethoxyphenyl)456789hexahydro(124)triazolo(51b)quinazolin9yl)benzoicacid
2(8oxo6(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)benzoicacid
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=CC=C5C(=O)O)C(=O)C2
InChI=1SC25H24N4O6c133191014(1120(342)23(19)353)1381721(18(30)913)22(2925(2817)26122729)15645716(15)24(31)32h47101322H89H213H3(H3132)(H262728)
MFCD09963829
ZINC000018198269
ZINC000018198274
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