Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
Catalog ID
STK465176
SMILES Cn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1COc1ccccc1
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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 C21H18N4O3S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S2/c1-25-19(10-26-16-5-3-2-4-6-16)23-24-21(25)30-12-15-11-29-20(22-15)14-7-8-17-18(9-14)28-13-27-17/h2-9,11H,10,12-13H2,1H3InChIKey
FLQMJSIRZMKEOG-UHFFFAOYSA-NSynonyms
((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4METHYL124TRIAZOL3YL)METHOXY)BENZENE
2(13benzodioxol5yl)4((4methyl5(phenoxymethyl)124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)4methyl5(phenoxymethyl)4H124triazole
CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)COC5=CC=CC=C5
InChI=1SC21H18N4O3S2c12519(1026165324616)232421(25)301215112920(2215)14781718(914)28132717h2911H101213H21H3
MFCD06114587
ZINC000017102330
ZINC17102330
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