Vitas-M small molecule compound
3-({[(3-bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK106330
SMILES COc1ccc(cc1Br)C(=O)NC(=S)Nc1cccc(c1)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 C16H13BrN2O4S MW 409.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O4S/c1-23-13-6-5-9(8-12(13)17)14(20)19-16(24)18-11-4-2-3-10(7-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)InChIKey
CKXJBBBDWQUUGO-UHFFFAOYSA-NSynonyms
3((((3BROMO4METHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((3BROMO4METHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)Br
InChI=1SC16H13BrN2O4Sc12313659(812(13)17)14(20)1916(24)181142310(711)15(21)22h28H1H3(H2122)(H218192024)
MFCD03243632
ZINC000002998307
ZINC2998307
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