Vitas-M small molecule compound
methyl 4-[(10E)-10-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-9-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-yl]benzoate
Catalog ID
STK796756
SMILES CCOc1cc(cc(c1O)I)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccc(cc1)C(=O)OC)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 C31H25IN2O5S MW 664.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25IN2O5S/c1-3-39-24-15-17(14-23(32)28(24)35)16-25-29(36)34-27(19-8-10-20(11-9-19)30(37)38-2)22-13-12-18-6-4-5-7-21(18)26(22)33-31(34)40-25/h4-11,14-16,27,35H,3,12-13H2,1-2H3/b25-16+InChIKey
UKPWJZPJONEFGZ-PCLIKHOPSA-NSynonyms
(Z)methyl4(10(3ethoxy4hydroxy5iodobenzylidene)9oxo67910tetrahydro5Hbenzo(h)thiazolo(23b)quinazolin7yl)benzoate
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=C(C=C6)C(=O)OC)I)O
CCOc1cc(cc(c1O)I)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)C(=O)OC)CCc1c3cccc1
InChI=1SC31H25IN2O5Sc1339241517(1423(32)28(24)35)162529(36)3427(1981020(11919)30(37)382)22131218645721(18)26(22)3331(34)4025h41114162735H31213H212H3b2516+
methyl4((10E)10(3ethoxy4hydroxy5iodobenzylidene)9oxo57910tetrahydro6Hbenzo(h)(13)thiazolo(23b)quinazolin7yl)benzoate
MFCD04227289
ZINC000097968876
ZINC000097968877
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