Vitas-M small molecule compound

N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Catalog ID
STK174201
SMILES CCc1ccc2c(c1)nc(o2)c1cccc(c1)NC(=S)NC(=O)c1ccc2c(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 C25H21N3O4S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S/c1-2-15-6-8-20-19(12-15)27-24(32-20)17-4-3-5-18(13-17)26-25(33)28-23(29)16-7-9-21-22(14-16)31-11-10-30-21/h3-9,12-14H,2,10-11H2,1H3,(H2,26,28,29,33)
InChIKey
XPIPPMLCBCKUGC-UHFFFAOYSA-N
Synonyms

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC25H21N3O4Sc1215682019(1215)2724(3220)1743518(1317)2625(33)2823(29)16792122(1416)3111103021h391214H21011H21H3(H226282933)
MFCD04096386
N((3(5ETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
ZINC000009892145
ZINC09892145
ZINC9892145

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Available files

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