Vitas-M small molecule compound
8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(4-methylphenyl)sulfonyl]alaninate
Catalog ID
STL297791
SMILES O=C(C(NS(=O)(=O)c1ccc(cc1)C)C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3
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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 C22H20ClNO6S MW 461.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO6S/c1-12-6-8-14(9-7-12)31(27,28)24-13(2)21(25)30-20-11-19-17(10-18(20)23)15-4-3-5-16(15)22(26)29-19/h6-11,13,24H,3-5H2,1-2H3InChIKey
SQRFQMWVLNNMGU-UHFFFAOYSA-NSynonyms
(8CHLORO4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)2((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
8chloro4oxo1234tetrahydrocyclopenta(c)chromen7yl2(4methylphenylsulfonamido)propanoate
8chloro4oxo1234tetrahydrocyclopenta(c)chromen7ylN((4methylphenyl)sulfonyl)alaninate
CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl
InChI=1SC22H20ClNO6Sc1126814(9712)31(2728)2413(2)21(25)3020111917(1018(20)23)1543516(15)22(26)2919h6111324H35H212H3
MFCD01558502
ZINC000000627606
ZINC000000627609
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