Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-4-methyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Catalog ID
STK474048
SMILES Cc1cccc(c1)c1scc(n1)CSc1nnc(n1C)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 C21H18N4O2S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S2/c1-13-4-3-5-15(8-13)20-22-16(10-28-20)11-29-21-24-23-19(25(21)2)14-6-7-17-18(9-14)27-12-26-17/h3-10H,11-12H2,1-2H3InChIKey
OJJPKIWXJCVXDC-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4methyl5(((2(3methylphenyl)13thiazol4yl)methyl)sulfanyl)4H124triazole
4((5(13benzodioxol5yl)4methyl124triazol3yl)sulfanylmethyl)2(3methylphenyl)13thiazole
5(2HBENZO(34D)13DIOXOLEN5YL)4METHYL3((2(3METHYLPHENYL)(13THIAZOL4YL))METHYLTHIO)124TRIAZOLE
CC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NN=C(N3C)C4=CC5=C(C=C4)OCO5
InChI=1SC21H18N4O2S2c11343515(813)202216(102820)112921242319(25(21)2)14671718(914)27122617h310H1112H212H3
MFCD07612687
ZINC000017093194
ZINC17093194
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