Vitas-M small molecule compound
2-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK676517
SMILES O=C1N(c2ccc3c(c2)sc(n3)SCC(=O)n2c3ccccc3c3c2CCCC3)C(=O)C2C1C1C=CC2C1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H25N3O3S2 MW 539.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O3S2/c34-25(33-22-7-3-1-5-19(22)20-6-2-4-8-23(20)33)15-37-30-31-21-12-11-18(14-24(21)38-30)32-28(35)26-16-9-10-17(13-16)27(26)29(32)36/h1,3,5,7,9-12,14,16-17,26-27H,2,4,6,8,13,15H2InChIKey
MONFARQPNSJPCZ-UHFFFAOYSA-NSynonyms
2(2((2oxo2(1234tetrahydro9Hcarbazol9yl)ethyl)sulfanyl)13benzothiazol6yl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NC5=C(S4)C=C(C=C5)N6C(=O)C7C8CC(C7C6=O)C=C8
InChI=1SC30H25N3O3S2c3425(3322731519(22)20624823(20)33)1537303121121118(1424(21)3830)3228(35)261691017(1316)27(26)29(32)36h13579121416172627H24681315H2
MFCD02019307
ZINC000100091617
ZINC000245235647
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