Vitas-M small molecule compound
(2E)-1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}prop-2-en-1-one
Catalog ID
STL399428
SMILES COc1ccc(cc1CSc1ccccn1)/C=C/C(=O)c1cc(nn1C)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/c1-15-12-18(24(2)23-15)19(25)9-7-16-8-10-20(26-3)17(13-16)14-27-21-6-4-5-11-22-21/h4-13H,14H2,1-3H3/b9-7+InChIKey
RDWBVQDIPZZUHT-VQHVLOKHSA-NSynonyms
1005566-26-6(2E)1(13DIMETHYL1HPYRAZOL5YL)3(4METHOXY3((PYRIDIN2YLSULFANYL)METHYL)PHENYL)PROP2EN1ONE
(E)1(25dimethylpyrazol3yl)3(4methoxy3(pyridin2ylsulfanylmethyl)phenyl)prop2en1one
1005566266
CC1=NN(C(=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C
COc1ccc(cc1CSc1ccccn1)C=CC(=O)c1cc(nn1C)C
InChI=1SC21H21N3O2Sc1151218(24(2)2315)19(25)971681020(263)17(1316)142721645112221h413H14H213H3b97+
MFCD04135918
ZINC000006275798
ZINC06275798
ZINC6275798
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