Vitas-M small molecule compound
(2E,2'E)-N,N'-[(2-methylbenzene-1,4-diyl)dicarbamothioyl]bis{3-[4-(propan-2-yl)phenyl]prop-2-enamide}
Catalog ID
STK174163
SMILES O=C(NC(=S)Nc1ccc(c(c1)C)NC(=S)NC(=O)/C=C/c1ccc(cc1)C(C)C)/C=C/c1ccc(cc1)C(C)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 C33H36N4O2S2 MW 584.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O2S2/c1-21(2)26-12-6-24(7-13-26)10-18-30(38)36-32(40)34-28-16-17-29(23(5)20-28)35-33(41)37-31(39)19-11-25-8-14-27(15-9-25)22(3)4/h6-22H,1-5H3,(H2,34,36,38,40)(H2,35,37,39,41)/b18-10+,19-11+InChIKey
XIPFARRSAFSIHJ-XOBNHNQQSA-NSynonyms
(2E2E)NN((2METHYLBENZENE14DIYL)DICARBAMOTHIOYL)BIS(3(4(PROPAN2YL)PHENYL)PROP2ENAMIDE)
(E)N((3METHYL4(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)PHENYL)CARBAMOTHIOYL)3(4PROPAN2YLPHENYL)PROP2ENAMIDE
CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C
InChI=1SC33H36N4O2S2c121(2)2612624(71326)101830(38)3632(40)3428161729(23(5)2028)3533(41)3731(39)19112581427(15925)22(3)4h622H15H3(H234363840)(H235373941)b1810+1911+
MFCD04093514
O=C(NC(=S)Nc1ccc(c(c1)C)NC(=S)NC(=O)C=Cc1ccc(cc1)C(C)C)C=Cc1ccc(cc1)C(C)C
ZINC000097960585
ZINC97960585
Check stock
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Check stock on Vitas-MAvailable files
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