Vitas-M small molecule compound

6-({3-carbamoyl-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Catalog ID
STK332733
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1sc(c(c1C(=O)N)c1ccc(cc1)C(C)C)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 C25H30N2O4S MW 454.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4S/c1-12(2)16-6-8-17(9-7-16)20-15(5)32-24(21(20)22(26)28)27-23(29)18-10-13(3)14(4)11-19(18)25(30)31/h6-9,12,18-19H,10-11H2,1-5H3,(H2,26,28)(H,27,29)(H,30,31)
InChIKey
IQXMTAGKSKCIEY-UHFFFAOYSA-N
Synonyms

6((3carbamoyl5methyl4(4(propan2yl)phenyl)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3CARBAMOYL5METHYL4(4PROPAN2YLPHENYL)THIOPHEN2YL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6(N(3CARBAMOYL5METHYL4(4(METHYLETHYL)PHENYL)(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C(C)C)C(=O)N)C(=O)O)C
InChI=1SC25H30N2O4Sc112(2)166817(9716)2015(5)3224(21(20)22(26)28)2723(29)181013(3)14(4)1119(18)25(30)31h69121819H1011H215H3(H22628)(H2729)(H3031)
MFCD02612543
ZINC000002783062
ZINC000002783065

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Available files

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