Vitas-M small molecule compound
(2E)-4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK421069
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)/C=C/C(=O)O
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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 C14H16N2O4S MW 308.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O4S/c1-7-2-3-8-9(6-7)21-14(12(8)13(15)20)16-10(17)4-5-11(18)19/h4-5,7H,2-3,6H2,1H3,(H2,15,20)(H,16,17)(H,18,19)/b5-4+InChIKey
KXNCBDSJOMTCSV-SNAWJCMRSA-NSynonyms
353770-56-6(2E)4((3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
353770566
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC(=O)O
CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C=CC(=O)O
InChI=1SC14H16N2O4Sc172389(67)2114(12(8)13(15)20)1610(17)4511(18)19h457H236H21H3(H21520)(H1617)(H1819)b54+
MFCD01921588
ZINC000002086435
ZINC000002086436
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