Vitas-M small molecule compound

2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-N-[(2Z)-5-cyclobutyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

Catalog ID
STL156950
SMILES CCCCc1cc(=O)oc2c1ccc(c2)OCC(=O)/N=c\1/[nH]nc(s1)C1CCC1

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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-2-3-5-14-10-19(26)28-17-11-15(8-9-16(14)17)27-12-18(25)22-21-24-23-20(29-21)13-6-4-7-13/h8-11,13H,2-7,12H2,1H3,(H,22,24,25)
InChIKey
RXCHYYYNTSMDQU-UHFFFAOYSA-N
Synonyms
1282098-58-1
1282098581
2((4butyl2oxo2Hchromen7yl)oxy)N((2Z)5cyclobutyl134thiadiazol2(3H)ylidene)acetamide
2(4butyl2oxochromen7yl)oxyN(5cyclobutyl134thiadiazol2yl)acetamide
CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NN=C(S3)C4CCC4
CCCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N=c1(nH)nc(s1)C1CCC1
InChI=1SC21H23N3O4Sc1235141019(26)28171115(8916(14)17)271218(25)2221242320(2921)1364713h81113H2712H21H3(H222425)
MFCD20757841
ZINC000061717814
ZINC61717814

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Available files

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