Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK696991
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1ccccc1OC

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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-3-10-26-21(16-6-4-5-7-17(16)28-2)24-25-22(26)31-14-20(27)23-15-8-9-18-19(13-15)30-12-11-29-18/h3-9,13H,1,10-12,14H2,2H3,(H,23,27)
InChIKey
JEHYFLVPPSSEIQ-UHFFFAOYSA-N
Synonyms
848987-16-6
2((4allyl5(2methoxyphenyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
848987166
COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC22H22N4O4Sc13102621(16645717(16)282)242522(26)311420(27)2315891819(1315)3012112918h3913H1101214H22H3(H2327)
MFCD05528948
N(23dihydro14benzodioxin6yl)2((5(2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((5(2METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2H3HBENZO(34E)14DIOXIN6YL)2(5(2METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002446111
ZINC02446111
ZINC2446111

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Available files

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