Vitas-M small molecule compound
{4-[2-amino-8-oxo-6-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]phenoxy}acetic acid
Catalog ID
STK335469
SMILES OC(=O)COc1ccc(cc1)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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c22-20-24-21-23-14-8-12(16-2-1-7-31-16)9-15(27)18(14)19(26(21)25-20)11-3-5-13(6-4-11)30-10-17(28)29/h1-7,12,19H,8-10H2,(H,28,29)(H3,22,23,24,25)InChIKey
DMJTZNQESRYNQY-UHFFFAOYSA-NSynonyms
(4(2amino8oxo6(thiophen2yl)456789hexahydro(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
2(4(2amino8oxo6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
C1C(CC(=O)C2=C1N=C3N=C(NN3C2C4=CC=C(C=C4)OCC(=O)O)N)C5=CC=CS5
InChI=1SC21H19N5O4Sc222024212314812(162173116)915(27)18(14)19(26(21)2520)113513(6411)301017(28)29h171219H810H2(H2829)(H322232425)
MFCD09964023
ZINC000018199136
ZINC000018199141
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