Vitas-M small molecule compound
(2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)but-2-enoic acid
Catalog ID
STK430140
SMILES OC(=O)/C=C/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2
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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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-10(2)23-17(22)15-11-6-4-3-5-7-12(11)24-16(15)18-13(19)8-9-14(20)21/h8-10H,3-7H2,1-2H3,(H,18,19)(H,20,21)/b9-8+InChIKey
ZVMVRXFETYDDMU-CMDGGOBGSA-NSynonyms
5703-35-5(2E)3((3(ISOPROPOXYCARBONYL)4H5H6H7H8HCYCLOHEPTA(B)THIOPHEN2YL)CARBAMOYL)PROP2ENOICACID
(2E)4oxo4((3((propan2yloxy)carbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoicacid
(E)4oxo4((3propan2yloxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoicacid
5703355
CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC(=O)O
InChI=1SC17H21NO5Sc110(2)2317(22)15116435712(11)2416(15)1813(19)8914(20)21h810H37H212H3(H1819)(H2021)b98+
MFCD01343699
OC(=O)C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2
ZINC000005021179
ZINC5021179
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