Vitas-M small molecule compound
N-({3-methoxy-4-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK234336
SMILES COc1cc(ccc1NC(=O)C(C)C)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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-12(2)19(25)23-15-6-5-14(11-17(15)27-3)22-21(30)24-20(26)13-4-7-16-18(10-13)29-9-8-28-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)(H2,22,24,26,30)InChIKey
HSENEMDFFUSPJE-UHFFFAOYSA-NSynonyms
CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)OC
InChI=1SC21H23N3O5Sc112(2)19(25)23156514(1117(15)273)2221(30)2420(26)13471618(1013)29982816h471012H89H213H3(H2325)(H222242630)
MFCD03909346
N((3methoxy4((2methylpropanoyl)amino)phenyl)carbamothioyl)23dihydro14benzodioxine6carboxamide
N((3METHOXY4(2METHYLPROPANOYLAMINO)PHENYL)CARBAMOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
ZINC000005944596
ZINC05944596
ZINC5944596
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