Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-(5-ethylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole
Catalog ID
STK491363
SMILES CCc1scc(c1)c1nnc(n1C(C)C)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 C22H22N4O2S3 MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S3/c1-4-17-7-15(9-29-17)20-24-25-22(26(20)13(2)3)31-11-16-10-30-21(23-16)14-5-6-18-19(8-14)28-12-27-18/h5-10,13H,4,11-12H2,1-3H3InChIKey
YQCQEAXHEKFHBW-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((5(5ethylthiophen3yl)4propan2yl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5(5ethylthiophen3yl)4(propan2yl)4H124triazole
3((2(2HBENZO(D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)5(5ETHYL(3THIENYL))4(METHYLETHYL)124TRIAZOLE
CCC1=CC(=CS1)C2=NN=C(N2C(C)C)SCC3=CSC(=N3)C4=CC5=C(C=C4)OCO5
InChI=1SC22H22N4O2S3c1417715(92917)20242522(26(20)13(2)3)311116103021(2316)14561819(814)28122718h51013H41112H213H3
MFCD06046850
ZINC000014002342
ZINC14002342
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