Vitas-M small molecule compound
methyl {[9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Catalog ID
STK235123
SMILES COC(=O)CSc1nn2c(n1)NC1=C(C2c2cc(F)cc(c2)F)C(=O)CCC1
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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 C18H16F2N4O3S MW 406.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F2N4O3S/c1-27-14(26)8-28-18-22-17-21-12-3-2-4-13(25)15(12)16(24(17)23-18)9-5-10(19)7-11(20)6-9/h5-7,16H,2-4,8H2,1H3,(H,21,22,23)InChIKey
CWZCRTWDOWOZRT-UHFFFAOYSA-NSynonyms
777871-23-5777871235
COC(=O)CSC1=NC2=NC3=C(C(N2N1)C4=CC(=CC(=C4)F)F)C(=O)CCC3
InChI=1SC18H16F2N4O3Sc12714(26)828182217211232413(25)15(12)16(24(17)2318)9510(19)711(20)69h5716H248H21H3(H212223)
methyl((9(35difluorophenyl)8oxo456789hexahydro(124)triazolo(51b)quinazolin2yl)sulfanyl)acetate
methyl2((9(35difluorophenyl)8oxo456789hexahydro(124)triazolo(51b)quinazolin2yl)thio)acetate
methyl2((9(35difluorophenyl)8oxo5679tetrahydro1H(124)triazolo(51b)quinazolin2yl)sulfanyl)acetate
MFCD06593866
ZINC000004488267
ZINC000004488268
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