Vitas-M small molecule compound
(2E)-4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-methyl-4-oxobut-2-enoic acid
Catalog ID
STK428747
SMILES COC(=O)c1c(NC(=O)/C=C(/C(=O)O)\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 C16H19NO5S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5S/c1-9(15(19)20)8-12(18)17-14-13(16(21)22-2)10-6-4-3-5-7-11(10)23-14/h8H,3-7H2,1-2H3,(H,17,18)(H,19,20)/b9-8+InChIKey
LDVWOVYAKQCNEG-CMDGGOBGSA-NSynonyms
(2E)4((3(methoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
(E)4((3methoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
CC(=CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC)C(=O)O
COC(=O)c1c(NC(=O)C=C(C(=O)O)C)sc2c1CCCCC2
InChI=1SC16H19NO5Sc19(15(19)20)812(18)171413(16(21)222)106435711(10)2314h8H37H212H3(H1718)(H1920)b98+
MFCD03465232
ZINC000005827750
ZINC5827750
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