Vitas-M small molecule compound

(10E)-10-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-7-(4-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK325866
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(I)c(c(c1)OC)OCc1cccc4c1cccc4)/s3)c1c(CC2)cccc1

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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 C40H31IN2O4S MW 762.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H31IN2O4S/c1-45-29-17-14-27(15-18-29)37-32-19-16-26-9-4-6-13-31(26)36(32)42-40-43(37)39(44)35(48-40)22-24-20-33(41)38(34(21-24)46-2)47-23-28-11-7-10-25-8-3-5-12-30(25)28/h3-15,17-18,20-22,37H,16,19,23H2,1-2H3/b35-22+
InChIKey
YTBRZQCAIULSGX-FADJLKOXSA-N
Synonyms

(10E)10(3iodo5methoxy4(naphthalen1ylmethoxy)benzylidene)7(4methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=C(C(=C6)I)OCC7=CC=CC8=CC=CC=C87)OC)S5
COc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1cccc4c1cccc4)s3)c1c(CC2)cccc1
InChI=1SC40H31IN2O4Sc14529171427(151829)37321916269461331(26)36(32)424043(37)39(44)35(4840)22242033(41)38(34(2124)462)47232811710258351230(25)28h3151718202237H161923H212H3b3522+
MFCD04227320
ZINC000097962538
ZINC000097962539

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Available files

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