Vitas-M small molecule compound
(10Z)-10-(1,3-benzodioxol-5-ylmethylidene)-7-(2-chlorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK071913
SMILES Clc1ccccc1C1C2=C(N=c3n1c(=O)/c(=C/c1ccc4c(c1)OCO4)/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 C28H19ClN2O3S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN2O3S/c29-21-8-4-3-7-19(21)26-20-11-10-17-5-1-2-6-18(17)25(20)30-28-31(26)27(32)24(35-28)14-16-9-12-22-23(13-16)34-15-33-22/h1-9,12-14,26H,10-11,15H2/b24-14-InChIKey
VJGAEQDBFKEMSA-OYKKKHCWSA-NSynonyms
(10Z)10(13BENZODIOXOL5YLMETHYLIDENE)7(2CHLOROPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CC=C5Cl)C(=O)C(=CC6=CC7=C(C=C6)OCO7)S4
Clc1ccccc1C1C2=C(N=c3n1c(=O)c(=Cc1ccc4c(c1)OCO4)s3)c1c(CC2)cccc1
InChI=1SC28H19ClN2O3Sc2921843719(21)2620111017512618(17)25(20)302831(26)27(32)24(3528)14169122223(1316)34153322h19121426H101115H2b2414
MFCD08052011
STK071913
ZINC000002156699
ZINC000002156704
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