Vitas-M small molecule compound
17-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK831896
SMILES COc1ccc(cc1)c1csc(n1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)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 C28H20N2O3S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O3S/c1-33-16-12-10-15(11-13-16)21-14-34-28(29-21)30-26(31)24-22-17-6-2-3-7-18(17)23(25(24)27(30)32)20-9-5-4-8-19(20)22/h2-14,22-25H,1H3InChIKey
DQOYCKHFHYPJAC-UHFFFAOYSA-NSynonyms
(9R10S11S15R)13(4(4methoxyphenyl)thiazol2yl)1011dihydro9H910(34)epipyrroloanthracene1214(13H15H)dione
17(4(4methoxyphenyl)13thiazol2yl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
COc1ccc(cc1)c1csc(n1)N1C(=O)C2(C@@H)(C1=O)C1c3c(C2c2c1cccc2)cccc3
InChI=1SC28H20N2O3Sc13316121015(111316)21143428(2921)3026(31)242217623718(17)23(25(24)27(30)32)20954819(20)22h2142225H1H3
MFCD00289793
ZINC000000894531
ZINC000013477075
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