Vitas-M small molecule compound
2-({[5-(3,4-dimethoxyphenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Catalog ID
STL122341
SMILES COc1cc(ccc1OC)c1nnc(n1CC(C)C)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/c1-14(2)12-28-21(15-9-10-18(30-3)19(11-15)31-4)26-27-23(28)32-13-20-24-17-8-6-5-7-16(17)22(29)25-20/h5-11,14H,12-13H2,1-4H3,(H,24,25,29)InChIKey
VWUNDCUHFIXZEI-UHFFFAOYSA-NSynonyms
2(((5(34dimethoxyphenyl)4(2methylpropyl)4H124triazol3yl)sulfanyl)methyl)quinazolin4(3H)one
2((5(34dimethoxyphenyl)4(2methylpropyl)124triazol3yl)sulfanylmethyl)1Hquinazolin4one
CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)c1nnc(n1CC(C)C)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC23H25N5O3Sc114(2)122821(1591018(303)19(1115)314)262723(28)3213202417865716(17)22(29)2520h51114H1213H214H3(H242529)
MFCD18435239
ZINC000067190002
ZINC67190002
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