Vitas-M small molecule compound
3-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Catalog ID
STK104011
SMILES S=C(Nc1cc(ccc1C)C(=O)O)NC(=O)c1ccc(cc1)C(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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-12-5-6-14(18(24)25)11-16(12)21-19(26)22-17(23)13-7-9-15(10-8-13)20(2,3)4/h5-11H,1-4H3,(H,24,25)(H2,21,22,23,26)InChIKey
UCRKYRQVLPYUMP-UHFFFAOYSA-NSynonyms
3((((4TERTBUTYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3(((4TERTBUTYLBENZOYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3((4TERTBUTYLBENZOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI=1SC20H22N2O3Sc1125614(18(24)25)1116(12)2119(26)2217(23)137915(10813)20(23)4h511H14H3(H2425)(H221222326)
MFCD03243555
ZINC000001158620
ZINC1158620
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