Vitas-M small molecule compound

N-(2,6-diethylphenyl)-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide

Catalog ID
STK762768
SMILES CCc1cccc(c1NC(=O)CSc1nc2c(s1)cc(cc2)N1C(=O)C2C(C1=O)C1CC2C=C1)CC

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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 C28H27N3O3S2 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S2/c1-3-15-6-5-7-16(4-2)25(15)30-22(32)14-35-28-29-20-11-10-19(13-21(20)36-28)31-26(33)23-17-8-9-18(12-17)24(23)27(31)34/h5-11,13,17-18,23-24H,3-4,12,14H2,1-2H3,(H,30,32)
InChIKey
UYMBEMFFNFULMK-UHFFFAOYSA-N
Synonyms

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6
CCc1cccc(c1NC(=O)CSc1nc2c(s1)cc(cc2)N1C(=O)C2C(C1=O)(C@@H)1C(C@H)2C=C1)CC
InChI=1SC28H27N3O3S2c131565716(42)25(15)3022(32)1435282920111019(1321(20)3628)3126(33)23178918(1217)24(23)27(31)34h5111317182324H341214H212H3(H3032)
MFCD02019304
N(26DIETHYLPHENYL)2((6((3AS4S7S7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)13BENZOTHIAZOL2YL)SULFANYL)ACETAMIDE
N(26diethylphenyl)2((6((4R7S)13dioxo3a477atetrahydro1H47methanoisoindol2(3H)yl)benzo(d)thiazol2yl)thio)acetamide
N(26diethylphenyl)2((6(13dioxo133a477ahexahydro2H47methanoisoindol2yl)13benzothiazol2yl)sulfanyl)acetamide
ZINC000100091470
ZINC000102993044

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.