Vitas-M small molecule compound
8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-(tert-butoxycarbonyl)phenylalaninate
Catalog ID
STL339613
SMILES O=C(OC(C)(C)C)NC(C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)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 C26H26ClNO6 MW 483.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO6/c1-26(2,3)34-25(31)28-20(12-15-8-5-4-6-9-15)24(30)33-22-14-21-18(13-19(22)27)16-10-7-11-17(16)23(29)32-21/h4-6,8-9,13-14,20H,7,10-12H2,1-3H3,(H,28,31)InChIKey
XOWCAHOBWJKQGD-UHFFFAOYSA-NSynonyms
(8CHLORO4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)3PHENYLPROPANOATE
(S)8chloro4oxo1234tetrahydrocyclopenta(c)chromen7yl2((tertbutoxycarbonyl)amino)3phenylpropanoate
8chloro4oxo1234tetrahydrocyclopenta(c)chromen7ylN(tertbutoxycarbonyl)phenylalaninate
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl
InChI=1SC26H26ClNO6c126(23)3425(31)2820(12158546915)24(30)3322142118(1319(22)27)161071117(16)23(29)3221h4689131420H71012H213H3(H2831)
MFCD28032303
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)Cc1ccccc1
ZINC000002403959
ZINC000015974765
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