Vitas-M small molecule compound

6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl N-[(4-methylphenyl)sulfonyl]valinate

Catalog ID
STL466506
SMILES CC(C(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)NS(=O)(=O)c1ccc(cc1)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 C25H27NO6S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6S/c1-15(2)23(26-33(29,30)18-11-8-16(3)9-12-18)25(28)31-17-10-13-20-19-6-4-5-7-21(19)24(27)32-22(20)14-17/h8-15,23,26H,4-7H2,1-3H3
InChIKey
MYSPCPJJRGUSOK-UHFFFAOYSA-N
Synonyms

(6oxo78910tetrahydrobenzo(c)chromen3yl)3methyl2((4methylphenyl)sulfonylamino)butanoate
(S)6oxo78910tetrahydro6Hbenzo(c)chromen3yl3methyl2(4methylphenylsulfonamido)butanoate
6oxo78910tetrahydro6Hbenzo(c)chromen3ylN((4methylphenyl)sulfonyl)valinate
CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3
InChI=1SC25H27NO6Sc115(2)23(2633(2930)1811816(3)91218)25(28)311710132019645721(19)24(27)3222(20)1417h8152326H47H213H3
MFCD02677272
ZINC000008917706
ZINC000017729734

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Available files

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