Vitas-M small molecule compound
9-(5-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335239
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(s2)Br)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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-28-15-4-3-11(9-16(15)29-2)12-7-13-19(14(27)8-12)20(17-5-6-18(22)30-17)26-21(25-13)23-10-24-26/h3-6,9-10,12,20H,7-8H2,1-2H3,(H,23,24,25)InChIKey
FAQROQZLMLRWPE-UHFFFAOYSA-NSynonyms
9(5bromothiophen2yl)6(34dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(5bromothiophen2yl)6(34dimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=C(S5)Br)C(=O)C2)OC
InChI=1SC21H19BrN4O3Sc128154311(916(15)292)1271319(14(27)812)20(175618(22)3017)2621(2513)23102426h369101220H78H212H3(H232425)
MFCD09963870
ZINC000018198524
ZINC000018198530
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