Vitas-M small molecule compound
2-({[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Catalog ID
STK230525
SMILES COc1cc(ccc1OC)c1nnc(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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-4-26-19(13-9-10-16(28-2)17(11-13)29-3)24-25-21(26)30-12-18-22-15-8-6-5-7-14(15)20(27)23-18/h5-11H,4,12H2,1-3H3,(H,22,23,27)InChIKey
IBGZHFZGHXAZSK-UHFFFAOYSA-NSynonyms
2(((5(34DIMETHOXYPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((5(34DIMETHOXYPHENYL)4ETHYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)c1nnc(n1CC)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC21H21N5O3Sc142619(1391016(282)17(1113)293)242521(26)3012182215865714(15)20(27)2318h511H412H213H3(H222327)
MFCD07791742
ZINC000009263929
ZINC09263929
ZINC9263929
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