Vitas-M small molecule compound
3-[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
Catalog ID
STK930794
SMILES O=C(Nc1nc2c(s1)CCCCC2)CC[C@@H]1NC(=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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c25-17(24-20-23-14-8-2-1-3-9-16(14)28-20)11-10-15-19(27)21-13-7-5-4-6-12(13)18(26)22-15/h4-7,15H,1-3,8-11H2,(H,21,27)(H,22,26)(H,23,24,25)/t15-/m0/s1InChIKey
UICXNNYUFBCZJF-HNNXBMFYSA-NSynonyms
1246049-95-51246049955
3((3S)25dioxo34dihydro1H14benzodiazepin3yl)N(5678tetrahydro4Hcyclohepta(d)(13)thiazol2yl)propanamide
3((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(5678tetrahydro4Hcyclohepta(d)(13)thiazol2yl)propanamide
C1CCC2=C(CC1)SC(=N2)NC(=O)CCC3C(=O)NC4=CC=CC=C4C(=O)N3
InChI=1SC20H22N4O3Sc2517(242023148213916(14)2820)11101519(27)2113754612(13)18(26)2215h4715H13811H2(H2127)(H2226)(H232425)t15m0s1
MFCD18176748
O=C(Nc1nc2c(s1)CCCCC2)CC(C@@H)1NC(=O)c2c(N=C1O)cccc2
ZINC000044891437
ZINC44891437
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