Vitas-M small molecule compound
N~2~-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-N~5~-carbamoyl-D-ornithine
Catalog ID
STL464166
SMILES O=C(N[C@@H](C(=O)O)CCCNC(=O)N)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)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 C26H33N3O7 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O7/c1-13-15(8-9-20(30)29-19(23(31)32)7-6-10-28-25(27)34)24(33)36-22-14(2)21-17(11-16(13)22)18(12-35-21)26(3,4)5/h11-12,19H,6-10H2,1-5H3,(H,29,30)(H,31,32)(H3,27,28,34)/t19-/m1/s1InChIKey
JXHDLHVFDBZEDL-LJQANCHMSA-NSynonyms
(2R)2(3(3tertbutyl59dimethyl7oxofuro(32g)chromen6yl)propanoylamino)5(carbamoylamino)pentanoicacid
(S)2(3(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)5ureidopentanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(CCCNC(=O)N)C(=O)O
InChI=1SC26H33N3O7c11315(8920(30)2919(23(31)32)76102825(27)34)24(33)362214(2)2117(1116(13)22)18(123521)26(34)5h111219H610H215H3(H2930)(H3132)(H3272834)t19m1s1
N~2~(3(3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)N~5~carbamoylDornithine
N2(3(3TERTBUTYL59DIMETHYL7OXO7HFURO(32G)CHROMEN6YL)PROPANOYL)N5CARBAMOYLDORNITHINE
O=C(N(C@@H)(C(=O)O)CCCNC(=O)N)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C
O=C(N(C@H)(C(=O)O)CCCNC(=O)N)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C
ZINC000011865610
ZINC11865610
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