Vitas-M small molecule compound
4-benzyl 1-(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl) N-(tert-butoxycarbonyl)-D-aspartate
Catalog ID
STK592958
SMILES CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1
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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 C27H28ClNO8 MW 529.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO8/c1-5-17-11-24(31)35-21-14-22(19(28)12-18(17)21)36-25(32)20(29-26(33)37-27(2,3)4)13-23(30)34-15-16-9-7-6-8-10-16/h6-12,14,20H,5,13,15H2,1-4H3,(H,29,33)/t20-/m1/s1InChIKey
FYNXYYQUNWRVPJ-HXUWFJFHSA-NSynonyms
1014022-58-2(R)4benzyl1(6chloro4ethyl2oxo2Hchromen7yl)2((tertbutoxycarbonyl)amino)succinate
1014022582
4benzyl1(6chloro4ethyl2oxo2Hchromen7yl)N(tertbutoxycarbonyl)Daspartate
4Obenzyl1O(6chloro4ethyl2oxochromen7yl)(2R)2((2methylpropan2yl)oxycarbonylamino)butanedioate
CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C
CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)(C@H)(NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1
InChI=1SC27H28ClNO8c15171124(31)35211422(19(28)1218(17)21)3625(32)20(2926(33)3727(23)4)1323(30)34151697681016h6121420H51315H214H3(H2933)t20m1s1
MFCD18245951
ZINC000101269327
ZINC101269327
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