Vitas-M small molecule compound
6-{[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK470900
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1sc2c(c1C(=O)NC1CC1)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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-10-8-14(15(21(26)27)9-11(10)2)18(24)23-20-17(19(25)22-12-6-7-12)13-4-3-5-16(13)28-20/h12,14-15H,3-9H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)InChIKey
HMUFGBIGWBOOGP-UHFFFAOYSA-NSynonyms
6((3(cyclopropylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3(NCYCLOPROPYLCARBAMOYL)(456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4CC4)C(=O)O)C
InChI=1SC21H26N2O4Sc110814(15(21(26)27)911(10)2)18(24)232017(19(25)22126712)1343516(13)2820h121415H39H212H3(H2225)(H2324)(H2627)
MFCD06021541
ZINC000017082478
ZINC000017082481
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