Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-[(3-chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole
Catalog ID
STK491179
SMILES Clc1cc(ccc1F)OCc1nnc(n1C)SCc1csc(n1)c1ccc2c(c1)OCO2
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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 C21H16ClFN4O3S2 MW 490.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN4O3S2/c1-27-19(8-28-14-3-4-16(23)15(22)7-14)25-26-21(27)32-10-13-9-31-20(24-13)12-2-5-17-18(6-12)30-11-29-17/h2-7,9H,8,10-11H2,1H3InChIKey
RRUVALYVPDWBID-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((5((3chloro4fluorophenoxy)methyl)4methyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5((3chloro4fluorophenoxy)methyl)4methyl4H124triazole
CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)COC5=CC(=C(C=C5)F)Cl
InChI=1SC21H16ClFN4O3S2c12719(828143416(23)15(22)714)252621(27)32101393120(2413)12251718(612)30112917h279H81011H21H3
MFCD06171334
ZINC000014120323
ZINC14120323
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