Vitas-M small molecule compound
3-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Catalog ID
STK108460
SMILES CCCCOc1cccc(c1)C(=O)NC(=S)Nc1cc(ccc1C)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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-3-4-10-26-16-7-5-6-14(11-16)18(23)22-20(27)21-17-12-15(19(24)25)9-8-13(17)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)InChIKey
FETGZZVLICYTKI-UHFFFAOYSA-NSynonyms
3((((3BUTOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3((3BUTOXYBENZOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C
InChI=1SC20H22N2O4Sc13410261675614(1116)18(23)2220(27)21171215(19(24)25)9813(17)2h591112H3410H212H3(H2425)(H221222327)
MFCD03246458
ZINC000002997307
ZINC2997307
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