Vitas-M small molecule compound

methyl 3'-(4-bromophenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK765649
SMILES COC(=O)C1=NN(C2(S1)Nc1c(S2)cccc1)c1ccc(cc1)Br

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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 C16H12BrN3O2S2 MW 422.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O2S2/c1-22-15(21)14-19-20(11-8-6-10(17)7-9-11)16(24-14)18-12-4-2-3-5-13(12)23-16/h2-9,18H,1H3
InChIKey
LRIUFWQPBOZCQM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=NN(C2(S1)NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br
InChI=1SC16H12BrN3O2S2c12215(21)141920(118610(17)7911)16(2414)1812423513(12)2316h2918H1H3
methyl3(4bromophenyl)3H3Hspiro(13benzothiazole22(134)thiadiazole)5carboxylate
METHYL4(4BROMOPHENYL)SPIRO(134THIADIAZOLE523H13BENZOTHIAZOLE)2CARBOXYLATE
MFCD02933938
ZINC000002191765
ZINC000002191766

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Available files

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