Vitas-M small molecule compound
3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl N-[(benzyloxy)carbonyl]-L-isoleucinate
Catalog ID
STK588410
SMILES CC[C@@H]([C@@H](C(=O)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)NC(=O)OCc1ccccc1)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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-4-18(3)25(29-28(32)33-16-19-10-6-5-7-11-19)27(31)35-23-15-17(2)14-22-24(23)20-12-8-9-13-21(20)26(30)34-22/h5-7,10-11,14-15,18,25H,4,8-9,12-13,16H2,1-3H3,(H,29,32)/t18-,25-/m0/s1InChIKey
MYYPXJRTGKPWEA-BVZFJXPGSA-NSynonyms
1013982-45-0(2S3S)3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl2(((benzyloxy)carbonyl)amino)3methylpentanoate
(3methyl6oxo78910tetrahydrobenzo(c)chromen1yl)(2S3S)3methyl2(phenylmethoxycarbonylamino)pentanoate
1013982450
3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1ylN((benzyloxy)carbonyl)Lisoleucinate
CC(C@@H)((C@@H)(C(=O)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)NC(=O)OCc1ccccc1)C
CCC(C)C(C(=O)OC1=CC(=CC2=C1C3=C(CCCC3)C(=O)O2)C)NC(=O)OCC4=CC=CC=C4
InChI=1SC28H31NO6c1418(3)25(2928(32)331619106571119)27(31)35231517(2)142224(23)2012891321(20)26(30)3422h57101114151825H489121316H213H3(H2932)t1825m0s1
MFCD18245831
ZINC000013556327
ZINC13556327
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