Vitas-M small molecule compound
(2E)-4-(4-hydroxy-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)-4-oxobut-2-enoic acid
Catalog ID
STK613882
SMILES OC(=O)/C=C/C(=O)N1CC(C)C(=Nc2c1cccc2)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 C14H14N2O4 MW 274.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O4/c1-9-8-16(12(17)6-7-13(18)19)11-5-3-2-4-10(11)15-14(9)20/h2-7,9H,8H2,1H3,(H,15,20)(H,18,19)/b7-6+InChIKey
PFZDOMBOJIZOCX-VOTSOKGWSA-NSynonyms
929852-99-3(2E)4(4hydroxy3methyl23dihydro1H15benzodiazepin1yl)4oxobut2enoicacid
(E)4(3methyl2oxo34dihydro1H15benzodiazepin5yl)4oxobut2enoicacid
929852993
CC1CN(C2=CC=CC=C2NC1=O)C(=O)C=CC(=O)O
InChI=1SC14H14N2O4c19816(12(17)6713(18)19)11532410(11)1514(9)20h279H8H21H3(H1520)(H1819)b76+
MFCD18158677
OC(=O)C=CC(=O)N1CC(C)C(=Nc2c1cccc2)O
ZINC000009305843
ZINC000009305844
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