Vitas-M small molecule compound
2-amino-9-[4-(benzyloxy)-3-methoxyphenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335768
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2n1nc(n2)N
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-34-22-14-17(9-10-21(22)35-15-16-6-3-2-4-7-16)25-24-19(29-27-30-26(28)31-32(25)27)12-18(13-20(24)33)23-8-5-11-36-23/h2-11,14,18,25H,12-13,15H2,1H3,(H3,28,29,30,31)InChIKey
IOWWWTODEORSSS-UHFFFAOYSA-NSynonyms
2amino9(3methoxy4phenylmethoxyphenyl)6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
2amino9(4(benzyloxy)3methoxyphenyl)6(thiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
COC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)N=C5N2NC(=N5)N)OCC6=CC=CC=C6
InChI=1SC27H25N5O3Sc134221417(91021(22)3515166324716)252419(29273026(28)3132(25)27)1218(1320(24)33)2385113623h211141825H121315H21H3(H328293031)
MFCD09964252
ZINC000018200027
ZINC000018200032
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