Vitas-M small molecule compound
methyl 2-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK688505
SMILES COC(=O)C1=C(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)SC2C1CCCCC2
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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 C23H29N3O3S2 MW 459.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O3S2/c1-29-22(28)20-16-6-3-2-4-8-18(16)31-21(20)24-23(30)25-11-14-10-15(13-25)17-7-5-9-19(27)26(17)12-14/h5,7,9,14-16,18H,2-4,6,8,10-13H2,1H3,(H,24,30)/t14-,15+,16?,18?/m0/s1InChIKey
NKZBMHHUAQUKHT-LCMLCXGQSA-NSynonyms
956763-83-0956763830
COC(=O)C1=C(NC(=S)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)SC2C1CCCCC2
methyl2((((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)456788ahexahydro3aHcyclohepta(b)thiophene3carboxylate
MFCD18246976
ZINC000102774610
ZINC000102774616
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