Vitas-M small molecule compound
(2E)-4-{[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-methyl-4-oxobut-2-enoic acid
Catalog ID
STK427520
SMILES COC(=O)c1c(NC(=O)/C=C(/C(=O)O)\C)sc2c1CCC(C2)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 C16H19NO5S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5S/c1-8-4-5-10-11(6-8)23-14(13(10)16(21)22-3)17-12(18)7-9(2)15(19)20/h7-8H,4-6H2,1-3H3,(H,17,18)(H,19,20)/b9-7+InChIKey
OKPPJNQZQYHZNK-VQHVLOKHSA-NSynonyms
(2E)4((3(methoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)amino)2methyl4oxobut2enoicacid
(E)4((3methoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)amino)2methyl4oxobut2enoicacid
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=C(C)C(=O)O
COC(=O)c1c(NC(=O)C=C(C(=O)O)C)sc2c1CCC(C2)C
InChI=1SC16H19NO5Sc18451011(68)2314(13(10)16(21)223)1712(18)79(2)15(19)20h78H46H213H3(H1718)(H1920)b97+
MFCD02612487
ZINC000002783152
ZINC000002783154
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