Vitas-M small molecule compound
methyl 4-{[(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}benzoate
Catalog ID
STK332509
SMILES COC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCCC1
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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-27-21(26)12-7-9-14(10-8-12)23-19(25)18-17(22)15-11-13-5-3-2-4-6-16(13)24-20(15)28-18/h7-11H,2-6,22H2,1H3,(H,23,25)InChIKey
WWJLWVFSRTYSED-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC4=C(CCCCC4)N=C3S2)N
InChI=1SC21H21N3O3Sc12721(26)127914(10812)2319(25)1817(22)1511135324616(13)2420(15)2818h711H2622H21H3(H2325)
methyl4(((3amino6789tetrahydro5Hcyclohepta(b)thieno(32e)pyridin2yl)carbonyl)amino)benzoate
MFCD09962751
ZINC000006727398
ZINC06727398
ZINC6727398
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