Vitas-M small molecule compound
methyl 3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK594722
SMILES COC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1C)c1ccccc1C)c1ccccc1C
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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 C32H28N2O2S2 MW 536.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O2S2/c1-21-13-5-8-16-24(21)31(25-17-9-6-14-22(25)2)26-18-10-11-19-27(26)32(38-31)34(28-20-12-7-15-23(28)3)33-29(37-32)30(35)36-4/h5-20H,1-4H3InChIKey
OECVVRJZTLWWLT-UHFFFAOYSA-NSynonyms
668449-36-3668449363
CC1=CC=CC=C1C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)OC)C5=CC=CC=C5C)C6=CC=CC=C6C
InChI=1SC32H28N2O2S2c12113581624(21)31(2517961422(25)2)261810111927(26)32(3831)34(28201271523(28)3)3329(3732)30(35)364h520H14H3
methyl333triotolyl3H3Hspiro(benzo(c)thiophene12(134)thiadiazole)5carboxylate
methyl333tris(2methylphenyl)3H3Hspiro(2benzothiophene12(134)thiadiazole)5carboxylate
METHYL334TRIS(2METHYLPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2CARBOXYLATE
MFCD04224123
ZINC000097955853
ZINC000097955854
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