Vitas-M small molecule compound
2-[({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK187008
SMILES CCOc1cc(C)ccc1OCc1nnc(n1CC)SCc1nc2ccccc2c(=O)[nH]1
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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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-4-28-21(13-31-18-11-10-15(3)12-19(18)30-5-2)26-27-23(28)32-14-20-24-17-9-7-6-8-16(17)22(29)25-20/h6-12H,4-5,13-14H2,1-3H3,(H,24,25,29)InChIKey
CLNJAHLXCPQZTR-UHFFFAOYSA-NSynonyms
2(((5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=C(C=C(C=C4)C)OCC
CCOc1cc(C)ccc1OCc1nnc(n1CC)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC23H25N5O3Sc142821(133118111015(3)1219(18)3052)262723(28)3214202417976816(17)22(29)2520h612H451314H213H3(H242529)
MFCD06632423
ZINC000006391989
ZINC06391989
ZINC6391989
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