Vitas-M small molecule compound
3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426245
SMILES CCCOC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCC2
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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 C21H27NO5S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S/c1-4-8-27-21(26)17-13-6-5-7-16(13)28-19(17)22-18(23)14-9-11(2)12(3)10-15(14)20(24)25/h14-15H,4-10H2,1-3H3,(H,22,23)(H,24,25)InChIKey
QNLDFZYJVLUHMZ-UHFFFAOYSA-NSynonyms
(1R6R)34DIMETHYL6((3(PROPOXYCARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
(1R6S)34DIMETHYL6((3(PROPOXYCARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
(1S6S)34DIMETHYL6((3(PROPOXYCARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
34DIMETHYL6(((3(PROPOXYCARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIEN2YL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
34dimethyl6((3(propoxycarbonyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
34DIMETHYL6((3PROPOXYCARBONYL56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
34DIMETHYL6(N(3(PROPOXYCARBONYL)(456TRIHYDROCYCLOPENTA(12D)THIOPHEN2YL))CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC21H27NO5Sc1482721(26)171365716(13)2819(17)2218(23)14911(2)12(3)1015(14)20(24)25h1415H410H213H3(H2223)(H2425)
MFCD02609178
ZINC000002109063
ZINC000002109068
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