Vitas-M small molecule compound
(10Z)-10-(4-butoxy-3-nitrobenzylidene)-7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK186592
SMILES CCCCOc1ccc(cc1[N+](=O)[O-])/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1)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 C31H27N3O4S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O4S/c1-2-3-17-38-26-16-13-20(18-25(26)34(36)37)19-27-30(35)33-29(22-10-5-4-6-11-22)24-15-14-21-9-7-8-12-23(21)28(24)32-31(33)39-27/h4-13,16,18-19,29H,2-3,14-15,17H2,1H3/b27-19-InChIKey
RQKQGSKGJFWZCU-DIBXZPPDSA-NSynonyms
(10Z)10(4BUTOXY3NITROBENZYLIDENE)7PHENYL57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6)(N+)(=O)(O)
CCCCOc1ccc(cc1(N+)(=O)(O))C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1
InChI=1SC31H27N3O4Sc123173826161320(1825(26)34(36)37)192730(35)3329(22105461122)241514219781223(21)28(24)3231(33)3927h41316181929H23141517H21H3b2719
MFCD06664534
ZINC000101720891
ZINC000101720902
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