Vitas-M small molecule compound
(2E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyanoprop-2-enamide
Catalog ID
STK385933
SMILES N#C/C(=C\c1c(C)nn(c1Cl)c1ccccc1)/C(=O)Nc1nc2c(s1)cccc2
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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 C21H14ClN5OS MW 419.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN5OS/c1-13-16(19(22)27(26-13)15-7-3-2-4-8-15)11-14(12-23)20(28)25-21-24-17-9-5-6-10-18(17)29-21/h2-11H,1H3,(H,24,25,28)/b14-11+InChIKey
UBKHSZHYJCXICG-SDNWHVSQSA-NSynonyms
(2E)N(13BENZOTHIAZOL2YL)3(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)2CYANOPROP2ENAMIDE
(2E)NBENZOTHIAZOL2YL3(5CHLORO3METHYL1PHENYLPYRAZOL4YL)2CYANOPROP2ENAMIDE
(E)N(13BENZOTHIAZOL2YL)3(5CHLORO3METHYL1PHENYLPYRAZOL4YL)2CYANOPROP2ENAMIDE
CC1=NN(C(=C1C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4
InChI=1SC21H14ClN5OSc11316(19(22)27(2613)157324815)1114(1223)20(28)252124179561018(17)2921h211H1H3(H242528)b1411+
MFCD03835426
N#CC(=Cc1c(C)nn(c1Cl)c1ccccc1)C(=O)Nc1nc2c(s1)cccc2
ZINC000015945504
ZINC15945504
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