Vitas-M small molecule compound
3-(5-{(Z)-[9-oxo-7-(thiophen-2-yl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK063240
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=c/1\sc2=NC3=C(C(n2c1=O)c1cccs1)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 C30H20N2O4S2 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20N2O4S2/c33-28-25(16-20-11-13-23(36-20)18-6-3-7-19(15-18)29(34)35)38-30-31-26-21-8-2-1-5-17(21)10-12-22(26)27(32(28)30)24-9-4-14-37-24/h1-9,11,13-16,27H,10,12H2,(H,34,35)/b25-16-InChIKey
UXISPFDMTKQIQF-XYGWBWBKSA-NSynonyms
3(5((Z)(9OXO7(THIOPHEN2YL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN10(9H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CS5)C(=O)C(=CC6=CC=C(O6)C7=CC(=CC=C7)C(=O)O)S4
InChI=1SC30H20N2O4S2c332825(1620111323(3620)1863719(1518)29(34)35)3830312621821517(21)101222(26)27(32(28)30)2494143724h1911131627H1012H2(H3435)b2516
MFCD08051636
OC(=O)c1cccc(c1)c1ccc(o1)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
STK063240
ZINC000097958828
ZINC000097958829
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