Vitas-M small molecule compound
2-[8-oxo-6-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoic acid
Catalog ID
STK333845
SMILES O=C1CC(CC2=C1C(n1c(N2)ncn1)c1ccccc1C(=O)O)c1cccs1
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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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c25-15-9-11(16-6-3-7-28-16)8-14-17(15)18(24-20(23-14)21-10-22-24)12-4-1-2-5-13(12)19(26)27/h1-7,10-11,18H,8-9H2,(H,26,27)(H,21,22,23)InChIKey
XGTBKDMGDFDMNO-UHFFFAOYSA-NSynonyms
2(8oxo6(thiophen2yl)456789hexahydro(124)triazolo(51b)quinazolin9yl)benzoicacid
2(8oxo6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)benzoicacid
C1C(CC(=O)C2=C1N=C3N=CNN3C2C4=CC=CC=C4C(=O)O)C5=CC=CS5
InChI=1SC20H16N4O3Sc2515911(166372816)81417(15)18(2420(2314)21102224)12412513(12)19(26)27h17101118H89H2(H2627)(H212223)
MFCD09963253
ZINC000018196363
ZINC000018196368
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