Vitas-M small molecule compound
6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK425310
SMILES COC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCCCC2
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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/c1-11-9-14(15(20(24)25)10-12(11)2)18(23)22-19-17(21(26)27-3)13-7-5-4-6-8-16(13)28-19/h14-15H,4-10H2,1-3H3,(H,22,23)(H,24,25)InChIKey
YYFJXWVWFNDEQO-UHFFFAOYSA-NSynonyms
6((3(methoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3methoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)C(=O)O)C
InChI=1SC21H27NO5Sc111914(15(20(24)25)1012(11)2)18(23)221917(21(26)273)137546816(13)2819h1415H410H213H3(H2223)(H2425)
MFCD02375107
ZINC000003864107
ZINC000004651420
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