Vitas-M small molecule compound
(10Z)-7-(2-chlorophenyl)-10-(4-methoxy-3-nitrobenzylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK069721
SMILES COc1ccc(cc1[N+](=O)[O-])/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
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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 C28H20ClN3O4S MW 530.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O4S/c1-36-23-13-10-16(14-22(23)32(34)35)15-24-27(33)31-26(19-8-4-5-9-21(19)29)20-12-11-17-6-2-3-7-18(17)25(20)30-28(31)37-24/h2-10,13-15,26H,11-12H2,1H3/b24-15-InChIKey
OOSRWLWMJJSMLW-IWIPYMOSSA-NSynonyms
(10Z)7(2CHLOROPHENYL)10(4METHOXY3NITROBENZYLIDENE)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)
COc1ccc(cc1(N+)(=O)(O))C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
InChI=1SC28H20ClN3O4Sc13623131016(1422(23)32(34)35)152427(33)3126(19845921(19)29)20121117623718(17)25(20)3028(31)3724h210131526H1112H21H3b2415
MFCD08051912
STK069721
ZINC000101468704
ZINC000101468707
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