Vitas-M small molecule compound
(10Z)-10-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]-7-(2-chlorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK088544
SMILES COc1cc(/C=c/2\sc3=NC4=C(C(n3c2=O)c2ccccc2Cl)CCc2c4cccc2)c(cc1OCc1ccccc1)[N+](=O)[O-]
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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 C35H26ClN3O5S MW 636.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26ClN3O5S/c1-43-29-17-23(28(39(41)42)19-30(29)44-20-21-9-3-2-4-10-21)18-31-34(40)38-33(25-13-7-8-14-27(25)36)26-16-15-22-11-5-6-12-24(22)32(26)37-35(38)45-31/h2-14,17-19,33H,15-16,20H2,1H3/b31-18-InChIKey
PTJSQLMMPYEKSG-MNBJERMJSA-NSynonyms
(10Z)10(4(BENZYLOXY)5METHOXY2NITROBENZYLIDENE)7(2CHLOROPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
COC1=C(C=C(C(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6Cl)(N+)(=O)(O))OCC7=CC=CC=C7
COc1cc(C=c2sc3=NC4=C(C(n3c2=O)c2ccccc2Cl)CCc2c4cccc2)c(cc1OCc1ccccc1)(N+)(=O)(O)
InChI=1SC35H26ClN3O5Sc143291723(28(39(41)42)1930(29)44202193241021)183134(40)3833(2513781427(25)36)2616152211561224(22)32(26)3735(38)4531h214171933H151620H21H3b3118
MFCD08679086
STK088544
ZINC000150413907
ZINC000150413913
Check stock
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