Vitas-M small molecule compound
2-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK760821
SMILES Clc1ccc(cc1)C(=O)CSc1nc2c(s1)cc(cc2)n1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C27H15ClN2O3S2 MW 515.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H15ClN2O3S2/c28-17-9-7-15(8-10-17)22(31)14-34-27-29-21-12-11-18(13-23(21)35-27)30-25(32)19-5-1-3-16-4-2-6-20(24(16)19)26(30)33/h1-13H,14H2InChIKey
MMIXTQOUODDOEC-UHFFFAOYSA-NSynonyms
2(2((2(4chlorophenyl)2oxoethyl)sulfanyl)13benzothiazol6yl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)BENZO(DE)ISOQUINOLINE13DIONE
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC5=C(C=C4)N=C(S5)SCC(=O)C6=CC=C(C=C6)Cl
InChI=1SC27H15ClN2O3S2c28179715(81017)22(31)1434272921121118(1323(21)3527)3025(32)195131642620(24(16)19)26(30)33h113H14H2
MFCD01626319
ZINC000002185880
ZINC02185880
ZINC2185880
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