Vitas-M small molecule compound
3-[({[4-(propan-2-yl)phenyl]carbonothioyl}carbamoyl)amino]-4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK172645
SMILES S=C(NC(=O)c1ccc(cc1)C(C)C)Nc1ccc(cc1NC(=O)NC(=S)c1ccc(cc1)C(C)C)C(=O)O
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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 C29H30N4O4S2 MW 562.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4S2/c1-16(2)18-5-9-20(10-6-18)25(34)32-29(39)31-23-14-13-22(27(35)36)15-24(23)30-28(37)33-26(38)21-11-7-19(8-12-21)17(3)4/h5-17H,1-4H3,(H,35,36)(H2,30,33,37,38)(H2,31,32,34,39)InChIKey
WNVJKMPLQJZCLK-UHFFFAOYSA-NSynonyms
3((((4(PROPAN2YL)PHENYL)CARBONOTHIOYL)CARBAMOYL)AMINO)4((((4(PROPAN2YL)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((4propan2ylbenzenecarbothioyl)carbamoylamino)4((4propan2ylbenzoyl)carbamothioylamino)benzoicacid
CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C(=O)O)NC(=O)NC(=S)C3=CC=C(C=C3)C(C)C
InChI=1SC29H30N4O4S2c116(2)185920(10618)25(34)3229(39)3123141322(27(35)36)1524(23)3028(37)3326(38)2111719(81221)17(3)4h517H14H3(H3536)(H230333738)(H231323439)
MFCD06663523
ZINC000097995790
ZINC97995790
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