Vitas-M small molecule compound
(10Z)-7-(3,4-dimethoxyphenyl)-10-(4-hydroxy-3-iodo-5-nitrobenzylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK067936
SMILES COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1cc(I)c(c(c1)[N+](=O)[O-])O)/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 C29H22IN3O6S MW 667.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22IN3O6S/c1-38-22-10-8-17(14-23(22)39-2)26-19-9-7-16-5-3-4-6-18(16)25(19)31-29-32(26)28(35)24(40-29)13-15-11-20(30)27(34)21(12-15)33(36)37/h3-6,8,10-14,26,34H,7,9H2,1-2H3/b24-13-InChIKey
AAQYPDGCCIQPHX-CFRMEGHHSA-NSynonyms
(10Z)7(34DIMETHOXYPHENYL)10(4HYDROXY3IODO5NITROBENZYLIDENE)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
(Z)7(34dimethoxyphenyl)10(4hydroxy3iodo5nitrobenzylidene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=C(C(=C6)I)O)(N+)(=O)(O))S5)OC
COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)c(=Cc1cc(I)c(c(c1)(N+)(=O)(O))O)s3)c1c(CC2)cccc1
InChI=1SC29H22IN3O6Sc1382210817(1423(22)392)26199716534618(16)25(19)312932(26)28(35)24(4029)13151120(30)27(34)21(1215)33(36)37h36810142634H79H212H3b2413
MFCD03664974
STK067936
ZINC000150409465
ZINC000150409469
Check stock
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Check stock on Vitas-MAvailable files
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