Vitas-M small molecule compound

3,4-dimethyl-6-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK471231
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2

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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 C24H26N2O4S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O4S/c1-13-11-17(18(24(29)30)12-14(13)2)21(27)26-23-20(16-9-6-10-19(16)31-23)22(28)25-15-7-4-3-5-8-15/h3-5,7-8,17-18H,6,9-12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)
InChIKey
LWPBGIQHUQPKBU-UHFFFAOYSA-N
Synonyms

34dimethyl6((3(phenylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
34DIMETHYL6(N(3(NPHENYLCARBAMOYL)(456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL))CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=CC=C4)C(=O)O)C
InChI=1SC24H26N2O4Sc1131117(18(24(29)30)1214(13)2)21(27)262320(16961019(16)3123)22(28)25157435815h35781718H6912H212H3(H2528)(H2627)(H2930)
MFCD06030792
ZINC000017102528
ZINC000017102534

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Available files

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