Vitas-M small molecule compound
ethyl {10-[N-(3-methyltricyclo[3.3.1.1~3,7~]dec-1-yl)-beta-alanyl]-10H-phenothiazin-2-yl}carbamate
Catalog ID
STK527686
SMILES CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCNC13CC4CC(C1)CC(C3)(C4)C)c1c(S2)cccc1
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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 C29H35N3O3S MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O3S/c1-3-35-27(34)31-21-8-9-25-23(13-21)32(22-6-4-5-7-24(22)36-25)26(33)10-11-30-29-16-19-12-20(17-29)15-28(2,14-19)18-29/h4-9,13,19-20,30H,3,10-12,14-18H2,1-2H3,(H,31,34)InChIKey
VDZHJFQXCMBCJI-UHFFFAOYSA-NSynonyms
CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCNC45CC6CC(C4)CC(C6)(C5)C
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCNC13CC4CC(C1)CC(C3)(C4)C)c1c(S2)cccc1Cl
ethyl(10(3(((1s3s5R7S)3methyladamantan1yl)amino)propanoyl)10Hphenothiazin2yl)carbamatehydrochloride
ethyl(10(N(3methyltricyclo(3311~37~)dec1yl)betaalanyl)10Hphenothiazin2yl)carbamate
ETHYLN(10(3((3METHYL1ADAMANTYL)AMINO)PROPANOYL)PHENOTHIAZIN2YL)CARBAMATE
InChI=1SC29H35N3O3Sc133527(34)3121892523(1321)32(22645724(22)3625)26(33)1011302916191220(1729)1528(21419)1829h4913192030H310121418H212H3(H3134)
MFCD01876090
ZINC000100705333
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