Vitas-M small molecule compound
1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK663391
SMILES Cc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1cccc(c1C)Cl)C(=O)C)c1ccc(cc1)C
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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 C32H27ClN2OS2 MW 555.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN2OS2/c1-20-12-16-24(17-13-20)31(25-18-14-21(2)15-19-25)26-8-5-6-9-27(26)32(38-31)35(34-30(37-32)23(4)36)29-11-7-10-28(33)22(29)3/h5-19H,1-4H3InChIKey
SGMFDAJGTALBNT-UHFFFAOYSA-NSynonyms
1(3(3chloro2methylphenyl)33bis(4methylphenyl)3H3Hspiro(2benzothiophene12(134)thiadiazol)5yl)ethanone
1(4(3CHLORO2METHYLPHENYL)33BIS(4METHYLPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2YL)ETHANONE
CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)C)C5=C(C(=CC=C5)Cl)C)C6=CC=C(C=C6)C
InChI=1SC32H27ClN2OS2c120121624(171320)31(25181421(2)151925)26856927(26)32(3831)35(3430(3732)23(4)36)291171028(33)22(29)3h519H14H3
MFCD01204185
ZINC000098002668
ZINC000098002669
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