Vitas-M small molecule compound
N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N'-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]ethanediamide
Catalog ID
STK938052
SMILES COc1cc(ccc1N1CCCCS1(=O)=O)NC(=O)C(=O)NCC1CC2CC1C=C2
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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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-29-19-12-17(6-7-18(19)24-8-2-3-9-30(24,27)28)23-21(26)20(25)22-13-16-11-14-4-5-15(16)10-14/h4-7,12,14-16H,2-3,8-11,13H2,1H3,(H,22,25)(H,23,26)InChIKey
IFZHEGPEVHRUJT-UHFFFAOYSA-NSynonyms
1220108-98-41220108984
COC1=C(C=CC(=C1)NC(=O)C(=O)NCC2CC3CC2C=C3)N4CCCCS4(=O)=O
InChI=1SC21H27N3O5Sc129191217(6718(19)24823930(2427)28)2321(26)20(25)22131611144515(16)1014h47121416H2381113H21H3(H2225)(H2326)
MFCD18178854
N(5bicyclo(221)hept2enylmethyl)N(4(11dioxothiazinan2yl)3methoxyphenyl)oxamide
N(bicyclo(221)hept5en2ylmethyl)N(4(11dioxido12thiazinan2yl)3methoxyphenyl)ethanediamide
N1(bicyclo(221)hept5en2ylmethyl)N2(4(11dioxido12thiazinan2yl)3methoxyphenyl)oxalamide
ZINC000101666630
ZINC000101666634
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