Vitas-M small molecule compound
2-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL398571
SMILES CCn1c(SCc2nn3c(n2)c2cnn(c2nc3)C)nnc1Cn1nc(cc1C(F)F)C(F)F
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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 C18H17F4N11S MW 495.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F4N11S/c1-3-31-13(6-32-11(15(21)22)4-10(28-32)14(19)20)26-27-18(31)34-7-12-25-17-9-5-24-30(2)16(9)23-8-33(17)29-12/h4-5,8,14-15H,3,6-7H2,1-2H3InChIKey
OTFCKMFGKFNJAN-UHFFFAOYSA-NSynonyms
1005681-53-71005681537
2(((5((35BIS(DIFLUOROMETHYL)1HPYRAZOL1YL)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)7METHYL7HPYRAZOLO(43E)(124)TRIAZOLO(15C)PYRIMIDINE
CCN1C(=NN=C1SCC2=NN3C=NC4=C(C3=N2)C=NN4C)CN5C(=CC(=N5)C(F)F)C(F)F
InChI=1SC18H17F4N11Sc133113(63211(15(21)22)410(2832)14(19)20)262718(31)347122517952430(2)16(9)23833(17)2912h4581415H367H212H3
MFCD04052939
ZINC000002802770
ZINC02802770
ZINC2802770
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