Vitas-M small molecule compound
6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Catalog ID
STK572079
SMILES O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl
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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 C26H28ClNO7 MW 501.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClNO7/c1-26(2,3)35-25(32)28-13-14-4-6-15(7-5-14)24(31)33-17-11-19(29)22-21(12-17)34-20-10-16(27)8-9-18(20)23(22)30/h8-12,14-15,29H,4-7,13H2,1-3H3,(H,28,32)/t14-,15-InChIKey
IKPQHDMKUYPIRZ-SHTZXODSSA-NSynonyms
(1r4r)6chloro1hydroxy9oxo9Hxanthen3yl4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
6chloro1hydroxy9oxo9Hxanthen3yltrans4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
MFCD07638362
O=C(OC(C)(C)C)NC(C@@H)1CC(C@H)(CC1)C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl
ZINC000245325988
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