Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
Catalog ID
STL529600
SMILES O=C(OC(C)(C)C)NC(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)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 C27H30ClNO6 MW 499.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO6/c1-15(2)23(29-26(32)35-27(4,5)6)25(31)34-22-14-21-18(13-20(22)28)16(3)19(24(30)33-21)12-17-10-8-7-9-11-17/h7-11,13-15,23H,12H2,1-6H3,(H,29,32)InChIKey
DUXPIHBRMQKISG-UHFFFAOYSA-NSynonyms
(3BENZYL6CHLORO4METHYL2OXOCHROMEN7YL)3METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)BUTANOATE
(S)3benzyl6chloro4methyl2oxo2Hchromen7yl2((tertbutoxycarbonyl)amino)3methylbutanoate
3849178
3benzyl6chloro4methyl2oxo2Hchromen7ylN(tertbutoxycarbonyl)valinate
InChI=1SC27H30ClNO6c115(2)23(2926(32)3527(45)6)25(31)3422142118(1320(22)28)16(3)19(24(30)3321)1217108791117h711131523H12H216H3(H2932)
MFCD31753953
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)C(C)C
ZINC000002096430
ZINC000016042847
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