Vitas-M small molecule compound
propan-2-yl 2-[(2-ethylhexanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK448916
SMILES CCCCC(C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2)CC
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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 C21H33NO3S MW 379.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO3S/c1-5-7-11-15(6-2)19(23)22-20-18(21(24)25-14(3)4)16-12-9-8-10-13-17(16)26-20/h14-15H,5-13H2,1-4H3,(H,22,23)InChIKey
LLBFHCQBAWVNIF-UHFFFAOYSA-NSynonyms
CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC(C)C
InChI=1SC21H33NO3Sc1571115(62)19(23)222018(21(24)2514(3)4)161298101317(16)2620h1415H513H214H3(H2223)
MFCD03375481
propan2yl2((2ethylhexanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2(2ethylhexanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000006042832
ZINC000006043018
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