Vitas-M small molecule compound
5-[4-({6-[(2,3-dimethylphenyl)amino][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}oxy)-3-methoxyphenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK675162
SMILES COc1cc(ccc1Oc1nc2nonc2nc1Nc1cccc(c1C)C)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 C38H34N6O4 MW 638.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N6O4/c1-20-9-8-12-26(21(20)2)40-36-37(42-35-34(41-36)43-48-44-35)47-29-16-14-23(17-30(29)46-5)33-32-25(18-38(3,4)19-28(32)45)31-24-11-7-6-10-22(24)13-15-27(31)39-33/h6-17,33,39H,18-19H2,1-5H3,(H,40,41,43)InChIKey
RPSZCQKBKATOMM-UHFFFAOYSA-NSynonyms
5(4((6((23dimethylphenyl)amino)(125)oxadiazolo(34b)pyrazin5yl)oxy)3methoxyphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
5(4((6(23dimethylanilino)(125)oxadiazolo(34b)pyrazin5yl)oxy)3methoxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
CC1=C(C(=CC=C1)NC2=NC3=NON=C3N=C2OC4=C(C=C(C=C4)C5C6=C(CC(CC6=O)(C)C)C7=C(N5)C=CC8=CC=CC=C87)OC)C
InChI=1SC38H34N6O4c120981226(21(20)2)403637(423534(4136)43484435)4729161423(1730(29)465)333225(1838(34)1928(32)45)312411761022(24)131527(31)3933h6173339H1819H215H3(H404143)
MFCD01359799
ZINC000033355542
ZINC000033355543
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