Vitas-M small molecule compound
1-[3'-(4-bromophenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK676283
SMILES CCc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccc(cc1)Br)C(=O)C)c1ccc(cc1)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 C33H29BrN2OS2 MW 613.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29BrN2OS2/c1-4-23-10-14-25(15-11-23)32(26-16-12-24(5-2)13-17-26)29-8-6-7-9-30(29)33(39-32)36(35-31(38-33)22(3)37)28-20-18-27(34)19-21-28/h6-21H,4-5H2,1-3H3InChIKey
VMLBDKKAQVZPEH-UHFFFAOYSA-NSynonyms
1(3(4bromophenyl)33bis(4ethylphenyl)3H3Hspiro(2benzothiophene12(134)thiadiazol)5yl)ethanone
1(4(4BROMOPHENYL)33BIS(4ETHYLPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2YL)ETHANONE
CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)C)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)CC
InChI=1SC33H29BrN2OS2c1423101425(151123)32(26161224(52)131726)29867930(29)33(3932)36(3531(3833)22(3)37)28201827(34)192128h621H45H213H3
MFCD01575651
ZINC000008443901
ZINC000008443903
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