Vitas-M small molecule compound

3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-[1-(4-methylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STK474027
SMILES C=CCn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1C(Oc1ccc(cc1)C)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/c1-4-11-29-23(17(3)32-20-8-5-16(2)6-9-20)27-28-25(29)34-14-19-13-33-24(26-19)18-7-10-21-22(12-18)31-15-30-21/h4-10,12-13,17H,1,11,14-15H2,2-3H3
InChIKey
OKTHECZFTXYZGK-UHFFFAOYSA-N
Synonyms

1((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))ETHOXY)4METHYLBENZENE
2(13benzodioxol5yl)4((5(1(4methylphenoxy)ethyl)4prop2enyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5(1(4methylphenoxy)ethyl)4(prop2en1yl)4H124triazole
CC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC=C)SCC3=CSC(=N3)C4=CC5=C(C=C4)OCO5
InChI=1SC25H24N4O3S2c14112923(17(3)32208516(2)6920)272825(29)341419133324(2619)187102122(1218)31153021h410121317H1111415H223H3
MFCD06176757
ZINC000020367931
ZINC000020367933

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Available files

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