Vitas-M small molecule compound

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

Catalog ID
STK567857
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccc(cc1)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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-3-10-27-21(14-31-18-7-4-16(2)5-8-18)25-26-23(27)32-15-22(28)24-17-6-9-19-20(13-17)30-12-11-29-19/h3-9,13H,1,10-12,14-15H2,2H3,(H,24,28)
InChIKey
YYIJYWKJPNUWRG-UHFFFAOYSA-N
Synonyms
848928-05-2
2((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
848928052
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC23H24N4O4Sc13102721(1431187416(2)5818)252623(27)321522(28)2417691920(1317)3012112919h3913H110121415H22H3(H2428)
MFCD05677920
N(23dihydro14benzodioxin6yl)2((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23DIHYDRO14BENZODIOXIN6YL)2((5(4METHYLPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2H3HBENZO(34E)14DIOXIN6YL)2(5((4METHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002443898
ZINC02443898
ZINC2443898

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Available files

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