Vitas-M small molecule compound

8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate

Catalog ID
STL461790
SMILES COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CC(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 C28H29NO7S MW 523.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO7S/c1-16(2)14-24(29-37(32,33)20-9-6-17(3)7-10-20)28(31)35-25-13-12-22-21-11-8-19(34-5)15-23(21)27(30)36-26(22)18(25)4/h6-13,15-16,24,29H,14H2,1-5H3/t24-/m0/s1
InChIKey
NTHGNNKZEXPSDJ-DEOSSOPVSA-N
Synonyms

(8METHOXY4METHYL6OXOBENZO(C)CHROMEN3YL)(2S)4METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
(S)8methoxy4methyl6oxo6Hbenzo(c)chromen3yl4methyl2(4methylphenylsulfonamido)pentanoate
8methoxy4methyl6oxo6Hbenzo(c)chromen3ylN((4methylphenyl)sulfonyl)Lleucinate
CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3)C
COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)CC(C)C
COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(=O)(C@H)(NS(=O)(=O)c1ccc(cc1)C)CC(C)C
InChI=1SC28H29NO7Sc116(2)1424(2937(3233)209617(3)71020)28(31)35251312222111819(345)1523(21)27(30)3626(22)18(25)4h61315162429H14H215H3t24m0s1
ZINC000002095727
ZINC02095727
ZINC2095727

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.