Vitas-M small molecule compound
4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole
Catalog ID
STL134370
SMILES COc1cc(ccc1OC)n1nnc(c1C)c1scc(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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-12-20(23-24-25(12)14-5-7-16(26-2)18(9-14)27-3)21-22-15(10-30-21)13-4-6-17-19(8-13)29-11-28-17/h4-10H,11H2,1-3H3InChIKey
YJIIRQSODGIJRR-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)2(1(34dimethoxyphenyl)5methyltriazol4yl)13thiazole
4(4(13benzodioxol5yl)13thiazol2yl)1(34dimethoxyphenyl)5methyl1H123triazole
CC1=C(N=NN1C2=CC(=C(C=C2)OC)OC)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H18N4O4Sc11220(232425(12)145716(262)18(914)273)212215(103021)13461719(813)29112817h410H11H213H3
MFCD20753985
ZINC000067341580
ZINC67341580
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