Vitas-M small molecule compound
4-{(E)-[7-(2-methoxyphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid
Catalog ID
STK117463
SMILES COc1ccccc1C1C2=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 C29H22N2O4S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O4S/c1-35-23-9-5-4-8-21(23)26-22-15-14-18-6-2-3-7-20(18)25(22)30-29-31(26)27(32)24(36-29)16-17-10-12-19(13-11-17)28(33)34/h2-13,16,26H,14-15H2,1H3,(H,33,34)/b24-16+InChIKey
AFHTZALMMQUULM-LFVJCYFKSA-NSynonyms
(Z)4((7(2methoxyphenyl)9oxo5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)benzoicacid
4((E)(7(2METHOXYPHENYL)9OXO57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN10(9H)YLIDENE)METHYL)BENZOICACID
COC1=CC=CC=C1C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(C=C6)C(=O)O)S5
COc1ccccc1C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)C(=O)O)s3)c1c(CC2)cccc1
InChI=1SC29H22N2O4Sc13523954821(23)2622151418623720(18)25(22)302931(26)27(32)24(3629)1617101219(131117)28(33)34h2131626H1415H21H3(H3334)b2416+
MFCD04227271
ZINC000009805467
ZINC000009805468
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