Vitas-M small molecule compound

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

Catalog ID
STK696992
SMILES COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc2c(c1)OCCO2

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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-3-25-20(15-6-4-5-7-16(15)27-2)23-24-21(25)30-13-19(26)22-14-8-9-17-18(12-14)29-11-10-28-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)
InChIKey
UEPLSYGYEBPEFB-UHFFFAOYSA-N
Synonyms
849020-91-3
849020913
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4OC
InChI=1SC21H22N4O4Sc132520(15645716(15)272)232421(25)301319(26)2214891718(1214)2911102817h4912H3101113H212H3(H2226)
MFCD05536576
N(23DIHYDRO14BENZODIOXIN6YL)2((4ETHYL5(2METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23dihydro14benzodioxin6yl)2((4ethyl5(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(23dihydrobenzo(b)(14)dioxin6yl)2((4ethyl5(2methoxyphenyl)4H124triazol3yl)thio)acetamide
N(2H3HBENZO(34E)14DIOXIN6YL)2(4ETHYL5(2METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002453103
ZINC02453103
ZINC2453103

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Available files

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