Vitas-M small molecule compound
4-benzyl 1-(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl) N-(tert-butoxycarbonyl)-L-aspartate
Catalog ID
STK591683
SMILES O=C(C[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)NC(=O)OC(C)(C)C)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 C29H31NO8 MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO8/c1-29(2,3)38-28(34)30-23(16-25(31)35-17-18-9-5-4-6-10-18)27(33)36-19-13-14-21-20-11-7-8-12-22(20)26(32)37-24(21)15-19/h4-6,9-10,13-15,23H,7-8,11-12,16-17H2,1-3H3,(H,30,34)/t23-/m0/s1InChIKey
DUPHXMZVLNBXOT-QHCPKHFHSA-NSynonyms
1013982-39-2(S)4benzyl1(6oxo78910tetrahydro6Hbenzo(c)chromen3yl)2((tertbutoxycarbonyl)amino)succinate
1013982392
4benzyl1(6oxo78910tetrahydro6Hbenzo(c)chromen3yl)N(tertbutoxycarbonyl)Laspartate
4Obenzyl1O(6oxo78910tetrahydrobenzo(c)chromen3yl)(2S)2((2methylpropan2yl)oxycarbonylamino)butanedioate
CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3
InChI=1SC29H31NO8c129(23)3828(34)3023(1625(31)35171895461018)27(33)36191314212011781222(20)26(32)3724(21)1519h46910131523H7811121617H213H3(H3034)t23m0s1
MFCD18245918
O=C(C(C@@H)(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)NC(=O)OC(C)(C)C)OCc1ccccc1
ZINC000013556293
ZINC13556293
Check stock
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Check stock on Vitas-MAvailable files
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