Vitas-M small molecule compound
(2E)-1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}prop-2-en-1-one
Catalog ID
STK309724
SMILES COc1ccc(cc1CSc1ccccn1)/C=C/C(=O)c1cnn(c1C)C
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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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-15-18(13-23-24(15)2)19(25)9-7-16-8-10-20(26-3)17(12-16)14-27-21-6-4-5-11-22-21/h4-13H,14H2,1-3H3/b9-7+InChIKey
JICLOXHYLHSSDS-VQHVLOKHSA-NSynonyms
1005584-06-4(2E)1(15dimethyl1Hpyrazol4yl)3(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)prop2en1one
(E)1(15DIMETHYLPYRAZOL4YL)3(4METHOXY3(PYRIDIN2YLSULFANYLMETHYL)PHENYL)PROP2EN1ONE
1005584064
CC1=C(C=NN1C)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3
COc1ccc(cc1CSc1ccccn1)C=CC(=O)c1cnn(c1C)C
InChI=1SC21H21N3O2Sc11518(132324(15)2)19(25)971681020(263)17(1216)142721645112221h413H14H213H3b97+
MFCD04052872
ZINC000006527525
ZINC06527525
ZINC6527525
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