Vitas-M small molecule compound
4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid
Catalog ID
STK041840
SMILES Cc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(cc1)C(=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 C29H22N2O3S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O3S/c1-17-6-10-20(11-7-17)26-23-15-14-19-4-2-3-5-22(19)25(23)30-29-31(26)27(32)24(35-29)16-18-8-12-21(13-9-18)28(33)34/h2-13,16,26H,14-15H2,1H3,(H,33,34)/b24-16-InChIKey
DJPGNNIDSCDZQV-JLPGSUDCSA-NSynonyms
714940-97-3(Z)4((9oxo7(ptolyl)5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)benzoicacid
4((Z)(7(4METHYLPHENYL)9OXO57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN10(9H)YLIDENE)METHYL)BENZOICACID
714940973
CC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(C=C6)C(=O)O)S5
Cc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)C(=O)O)s3)c1c(CC2)cccc1
InChI=1SC29H22N2O3Sc11761020(11717)2623151419423522(19)25(23)302931(26)27(32)24(3529)161881221(13918)28(33)34h2131626H1415H21H3(H3334)b2416
MFCD04176902
STK041840
ZINC000001899319
ZINC000001899321
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