Vitas-M small molecule compound
5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK759755
SMILES CCOc1cc(cc(c1O)Cl)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 C27H26ClNO3 MW 447.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO3/c1-4-32-22-12-16(11-19(28)26(22)31)25-24-18(13-27(2,3)14-21(24)30)23-17-8-6-5-7-15(17)9-10-20(23)29-25/h5-12,25,29,31H,4,13-14H2,1-3H3InChIKey
YICPRIVRYRCVKF-UHFFFAOYSA-NSynonyms
5(3chloro5ethoxy4hydroxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(3chloro5ethoxy4hydroxyphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)Cl)O
InChI=1SC27H26ClNO3c1432221216(1119(28)26(22)31)252418(1327(23)1421(24)30)2317865715(17)91020(23)2925h512252931H41314H213H3
MFCD01572667
ZINC000002190005
ZINC000002190006
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