Vitas-M small molecule compound
3-[({[3-(butan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid
Catalog ID
STK012137
SMILES CCC(Oc1cccc(c1)C(=O)NC(=S)Nc1cc(ccc1C)C(=O)O)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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-4-13(3)26-16-7-5-6-14(10-16)18(23)22-20(27)21-17-11-15(19(24)25)9-8-12(17)2/h5-11,13H,4H2,1-3H3,(H,24,25)(H2,21,22,23,27)InChIKey
YHQSHIIGSJJNMD-UHFFFAOYSA-NSynonyms
531532-56-63((((3(BUTAN2YLOXY)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3((3BUTAN2YLOXYBENZOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
531532566
BENZOICACID4METHYL3((((3(1METHYLPROPOXY)BENZOYL)AMINO)THIOXOMETHYL)AMINO)
CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C
CCC(Oc1cccc(c1)C(=O)NC(=S)Nc1cc(ccc1C)C(=O)O)C
InChI=1SC20H22N2O4Sc1413(3)261675614(1016)18(23)2220(27)21171115(19(24)25)9812(17)2h51113H4H213H3(H2425)(H221222327)
MFCD03566174
STK012137
ZINC000004551459
ZINC000004551460
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