Vitas-M small molecule compound
3-({2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinyl}carbonyl)-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK449306
SMILES O=C(C1C2CCC(C1C(=O)O)C2=C(C)C)NNC(=O)c1csc2c1CCC(C2)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 C25H34N2O4S MW 458.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O4S/c1-12(2)19-15-8-9-16(19)21(24(30)31)20(15)23(29)27-26-22(28)17-11-32-18-10-13(25(3,4)5)6-7-14(17)18/h11,13,15-16,20-21H,6-10H2,1-5H3,(H,26,28)(H,27,29)(H,30,31)InChIKey
YOESVLDFVRCLOS-UHFFFAOYSA-NSynonyms
2(((6tertbutyl4567tetrahydro1benzothiophene3carbonyl)amino)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((2((6tertbutyl4567tetrahydro1benzothiophen3yl)carbonyl)hydrazinyl)carbonyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
CC(=C1C2CCC1C(C2C(=O)NNC(=O)C3=CSC4=C3CCC(C4)C(C)(C)C)C(=O)O)C
InChI=1SC25H34N2O4Sc112(2)19158916(19)21(24(30)31)20(15)23(29)272622(28)171132181013(25(34)5)6714(17)18h111315162021H610H215H3(H2628)(H2729)(H3031)
MFCD03466965
ZINC000102648533
ZINC000239254641
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