Vitas-M small molecule compound
3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-N-[4-(1H-tetrazol-1-yl)phenyl]propanamide
Catalog ID
STL410572
SMILES O=C(Nc1ccc(cc1)n1cnnn1)CCC1NC(=O)c2c(N=C1O)cccc2
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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 C19H17N7O3 MW 391.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N7O3/c27-17(21-12-5-7-13(8-6-12)26-11-20-24-25-26)10-9-16-19(29)22-15-4-2-1-3-14(15)18(28)23-16/h1-8,11,16H,9-10H2,(H,21,27)(H,22,29)(H,23,28)InChIKey
IKQJTRHCWGXNKN-UHFFFAOYSA-NSynonyms
3(25dioxo34dihydro1H14benzodiazepin3yl)N(4(tetrazol1yl)phenyl)propanamide
3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(4(1Htetrazol1yl)phenyl)propanamide
C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CCC(=O)NC3=CC=C(C=C3)N4C=NN=N4
InChI=1SC19H17N7O3c2717(21125713(8612)261120242526)1091619(29)2215421314(15)18(28)2316h181116H910H2(H2127)(H2229)(H2328)
MFCD30706277
ZINC000096118203
ZINC000206245483
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