Vitas-M small molecule compound
2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl N-[(4-methylphenyl)sulfonyl]alaninate
Catalog ID
STL232810
SMILES O=C(C(NS(=O)(=O)c1ccc(cc1)C)C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3
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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 C23H22ClNO6S MW 475.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO6S/c1-13-7-9-15(10-8-13)32(28,29)25-14(2)22(26)31-21-12-20-18(11-19(21)24)16-5-3-4-6-17(16)23(27)30-20/h7-12,14,25H,3-6H2,1-2H3InChIKey
WXFNYBUXNZKDNC-UHFFFAOYSA-NSynonyms
(2chloro6oxo78910tetrahydrobenzo(c)chromen3yl)2((4methylphenyl)sulfonylamino)propanoate
(S)2chloro6oxo78910tetrahydro6Hbenzo(c)chromen3yl2(4methylphenylsulfonamido)propanoate
2chloro6oxo78910tetrahydro6Hbenzo(c)chromen3ylN((4methylphenyl)sulfonyl)alaninate
CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C=C3C4=C(CCCC4)C(=O)OC3=C2)Cl
InChI=1SC23H22ClNO6Sc1137915(10813)32(2829)2514(2)22(26)3121122018(1119(21)24)16534617(16)23(27)3020h7121425H36H212H3
MFCD06770634
O=C((C@H)(NS(=O)(=O)c1ccc(cc1)C)C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3
ZINC000013513566
ZINC000013513568
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