Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK465630
SMILES CCn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1c1csc2c1CCCC2
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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 C23H22N4O2S3 MW 482.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S3/c1-2-27-21(17-12-30-20-6-4-3-5-16(17)20)25-26-23(27)32-11-15-10-31-22(24-15)14-7-8-18-19(9-14)29-13-28-18/h7-10,12H,2-6,11,13H2,1H3InChIKey
PPBGSEXIRIPFRP-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((4ethyl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)4ethyl5(4567tetrahydro1benzothiophen3yl)4H124triazole
CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CSC6=C5CCCC6
InChI=1SC23H22N4O2S3c122721(17123020643516(17)20)252623(27)321115103122(2415)14781819(914)29132818h71012H261113H21H3
MFCD06189368
ZINC000020214866
ZINC20214866
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