Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465901
SMILES C=CCn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1COc1ccc(cc1C)C
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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 C25H24N4O3S2 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S2/c1-4-9-29-23(12-30-20-7-5-16(2)10-17(20)3)27-28-25(29)34-14-19-13-33-24(26-19)18-6-8-21-22(11-18)32-15-31-21/h4-8,10-11,13H,1,9,12,14-15H2,2-3H3InChIKey
FXNRREXTDICEND-UHFFFAOYSA-NSynonyms
1((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)24DIMETHYLBENZENE
2(13benzodioxol5yl)4((5((24dimethylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5((24dimethylphenoxy)methyl)4(prop2en1yl)4H124triazole
CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CSC(=N3)C4=CC5=C(C=C4)OCO5)C
InChI=1SC25H24N4O3S2c1492923(1230207516(2)1017(20)3)272825(29)341419133324(2619)18682122(1118)32153121h48101113H19121415H223H3
MFCD06075315
ZINC000020357058
ZINC20357058
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