Vitas-M small molecule compound
4-({[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK278647
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1CC)c1ccc(c(c1)OC)OC
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-25-20(16-9-10-18(27-2)19(11-16)28-3)23-24-21(25)29-13-17(26)15-7-5-14(12-22)6-8-15/h5-11H,4,13H2,1-3H3InChIKey
BAFXIRUSMPFQRQ-UHFFFAOYSA-NSynonyms
4(((5(34DIMETHOXYPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(34dimethoxyphenyl)4ethyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(34DIMETHOXYPHENYL)4ETHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC(=C(C=C3)OC)OC
InChI=1SC21H20N4O3Sc142520(1691018(272)19(1116)283)232421(25)291317(26)157514(1222)6815h511H413H213H3
MFCD09269434
ZINC000009095788
ZINC09095788
ZINC9095788
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