Vitas-M small molecule compound
3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK474660
SMILES CSc1ccccc1NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C16H17NO3S MW 303.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3S/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-7,9-10,13-14H,8H2,1H3,(H,17,18)(H,19,20)InChIKey
SADRDJJOMWZIJH-UHFFFAOYSA-NSynonyms
2((2METHYLSULFANYLPHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2(methylsulfanyl)phenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(2METHYLTHIOPHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CSC1=CC=CC=C1NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI=1SC16H17NO3Sc12112532411(12)1715(18)1396710(89)14(13)16(19)20h279101314H8H21H3(H1718)(H1920)
MFCD06065731
ZINC000100796842
ZINC000239203245
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