Vitas-M small molecule compound

4-{[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]amino}-4-oxobutanoic acid

Catalog ID
STK468562
SMILES O=C(Nc1scc(c1C(=O)N)c1ccc(c(c1)C)C)CCC(=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 C17H18N2O4S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4S/c1-9-3-4-11(7-10(9)2)12-8-24-17(15(12)16(18)23)19-13(20)5-6-14(21)22/h3-4,7-8H,5-6H2,1-2H3,(H2,18,23)(H,19,20)(H,21,22)
InChIKey
MQQLBURUCWXYST-UHFFFAOYSA-N
Synonyms

3(N(4(34DIMETHYLPHENYL)3CARBAMOYL2THIENYL)CARBAMOYL)PROPANOICACID
4((3carbamoyl4(34dimethylphenyl)thiophen2yl)amino)4oxobutanoicacid
CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCC(=O)O)C
InChI=1SC17H18N2O4Sc193411(710(9)2)1282417(15(12)16(18)23)1913(20)5614(21)22h3478H56H212H3(H21823)(H1920)(H2122)
MFCD06030761
ZINC000017072099
ZINC17072099

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Available files

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