Vitas-M small molecule compound
6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl (2S)-[(tert-butoxycarbonyl)amino](phenyl)ethanoate
Catalog ID
STK574817
SMILES O=C(OC(C)(C)C)N[C@@H](c1ccccc1)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 C26H22ClNO7 MW 495.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO7/c1-26(2,3)35-25(32)28-22(14-7-5-4-6-8-14)24(31)33-16-12-18(29)21-20(13-16)34-19-11-15(27)9-10-17(19)23(21)30/h4-13,22,29H,1-3H3,(H,28,32)/t22-/m0/s1InChIKey
VIAFATOHAUTXDX-QFIPXVFZSA-NSynonyms
1014002-91-5(6chloro1hydroxy9oxoxanthen3yl)(2S)2((2methylpropan2yl)oxycarbonylamino)2phenylacetate
(S)6chloro1hydroxy9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)2phenylacetate
1014002915
6chloro1hydroxy9oxo9Hxanthen3yl(2S)((tertbutoxycarbonyl)amino)(phenyl)ethanoate
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O
InChI=1SC26H22ClNO7c126(23)3525(32)2822(147546814)24(31)33161218(29)2120(1316)34191115(27)91017(19)23(21)30h4132229H13H3(H2832)t22m0s1
MFCD08284398
O=C(OC(C)(C)C)N(C@@H)(c1ccccc1)C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl
ZINC000013576341
ZINC13576341
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