Vitas-M small molecule compound

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

Catalog ID
STK585237
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccccc1

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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 C26H24N4O5S MW 504.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S/c1-32-20-10-8-19(9-11-20)30-24(16-35-21-5-3-2-4-6-21)28-29-26(30)36-17-25(31)27-18-7-12-22-23(15-18)34-14-13-33-22/h2-12,15H,13-14,16-17H2,1H3,(H,27,31)
InChIKey
OIIZEBWVRWQTKF-UHFFFAOYSA-N
Synonyms
896848-79-6
896848796
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)COC5=CC=CC=C5
InChI=1SC26H24N4O5Sc1322010819(91120)3024(1635215324621)282926(30)361725(31)27187122223(1518)3414133322h21215H13141617H21H3(H2731)
MFCD06602951
N(23DIHYDRO14BENZODIOXIN6YL)2((4(4METHOXYPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23dihydro14benzodioxin6yl)2((4(4methoxyphenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetamide
N(23dihydrobenzo(b)(14)dioxin6yl)2((4(4methoxyphenyl)5(phenoxymethyl)4H124triazol3yl)thio)acetamide
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(4METHOXYPHENYL)5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002445452
ZINC02445452
ZINC2445452

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Available files

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