Vitas-M small molecule compound
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK756211
SMILES COc1cc(ccc1OC(=O)c1cc(F)c(cc1Cl)F)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)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 C33H26ClF2NO4 MW 574.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClF2NO4/c1-33(2)15-21-29-19-7-5-4-6-17(19)8-10-25(29)37-31(30(21)26(38)16-33)18-9-11-27(28(12-18)40-3)41-32(39)20-13-23(35)24(36)14-22(20)34/h4-14,31,37H,15-16H2,1-3H3InChIKey
ARHOEZJNQQKBDZ-UHFFFAOYSA-NSynonyms
(4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin5yl)2methoxyphenyl)2chloro45difluorobenzoate
4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridin5yl)2methoxyphenyl2chloro45difluorobenzoate
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OC(=O)C6=CC(=C(C=C6Cl)F)F)OC)C(=O)C1)C
InChI=1SC33H26ClF2NO4c133(2)15212919754617(19)81025(29)3731(30(21)26(38)1633)1891127(28(1218)403)4132(39)201323(35)24(36)1422(20)34h4143137H1516H213H3
MFCD01029651
ZINC000002188092
ZINC000002188093
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