Vitas-M small molecule compound
3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl (2R)-[(tert-butoxycarbonyl)amino](phenyl)ethanoate
Catalog ID
STL462361
SMILES O=C(OC(C)(C)C)N[C@H](c1ccccc1)C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
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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 C31H31NO6 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6/c1-19-23-16-17-25(20(2)27(23)37-28(33)24(19)18-21-12-8-6-9-13-21)36-29(34)26(22-14-10-7-11-15-22)32-30(35)38-31(3,4)5/h6-17,26H,18H2,1-5H3,(H,32,35)/t26-/m1/s1InChIKey
NDKFSSBPPPWUSL-AREMUKBSSA-NSynonyms
(3BENZYL48DIMETHYL2OXOCHROMEN7YL)(2R)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)2PHENYLACETATE
3benzyl48dimethyl2oxo2Hchromen7yl(2R)((tertbutoxycarbonyl)amino)(phenyl)ethanoate
3benzyl48dimethyl2oxo2Hchromen7yl2((tertbutoxycarbonyl)amino)2phenylacetate
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C)CC4=CC=CC=C4
InChI=1SC31H31NO6c11923161725(20(2)27(23)3728(33)24(19)1821128691321)3629(34)26(2214107111522)3230(35)3831(34)5h61726H18H215H3(H3235)t26m1s1
O=C(OC(C)(C)C)N(C@H)(c1ccccc1)C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
ZINC000002093969
ZINC02093969
ZINC2093969
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