Vitas-M small molecule compound
4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate
Catalog ID
STL235372
SMILES CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)CCNC(=O)OC(C)(C)C
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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 C21H26ClNO6 MW 423.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClNO6/c1-5-6-7-13-10-19(25)27-16-12-17(15(22)11-14(13)16)28-18(24)8-9-23-20(26)29-21(2,3)4/h10-12H,5-9H2,1-4H3,(H,23,26)InChIKey
SKIUJARLLTZWOZ-UHFFFAOYSA-NSynonyms
586988-96-7(4BUTYL6CHLORO2OXOCHROMEN7YL)3((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
4butyl6chloro2oxo2Hchromen7yl3((tertbutoxycarbonyl)amino)propanoate
4butyl6chloro2oxo2Hchromen7ylN(tertbutoxycarbonyl)betaalaninate
586988967
CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OC(C)(C)C
InChI=1SC21H26ClNO6c1567131019(25)27161217(15(22)1114(13)16)2818(24)892320(26)2921(23)4h1012H59H214H3(H2326)
MFCD04032923
ZINC000002396402
ZINC02396402
ZINC2396402
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