Vitas-M small molecule compound
N-{[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK234312
SMILES COc1ccc(cc1Cl)c1nc2c(o1)ccc(c2)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 C24H18ClN3O5S MW 495.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O5S/c1-30-18-5-3-14(10-16(18)25)23-27-17-12-15(4-7-19(17)33-23)26-24(34)28-22(29)13-2-6-20-21(11-13)32-9-8-31-20/h2-7,10-12H,8-9H2,1H3,(H2,26,28,29,34)InChIKey
BRVRYOYLEBGMKV-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5)Cl
InChI=1SC24H18ClN3O5Sc130185314(1016(18)25)2327171215(4719(17)3323)2624(34)2822(29)13262021(1113)32983120h271012H89H21H3(H226282934)
MFCD03783930
N((2(3chloro4methoxyphenyl)13benzoxazol5yl)carbamothioyl)23dihydro14benzodioxine6carboxamide
ZINC000000724754
ZINC00724754
ZINC724754
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