Vitas-M small molecule compound
dimethyl 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)hexanedioate
Catalog ID
STL553231
SMILES COC(=O)CCCC(C(=O)OC)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
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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 C20H27N3O5S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O5S/c1-27-18(25)8-3-5-15(19(26)28-2)21-20(29)22-10-13-9-14(12-22)16-6-4-7-17(24)23(16)11-13/h4,6-7,13-15H,3,5,8-12H2,1-2H3,(H,21,29)/t13-,14?,15?/m0/s1InChIKey
MUHPWJOPCNVMAU-NFOMZHRRSA-NSynonyms
1214136-00-11214136001
16399492
COC(=O)CCCC(C(=O)OC)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
dimethyl2((((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)hexanedioate
dimethyl2(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)hexanedioate
dimethyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)hexanedioate
InChI=1SC20H27N3O5Sc12718(25)83515(19(26)282)2120(29)221013914(1222)1664717(24)23(16)1113h4671315H35812H212H3(H2129)t1314?15?m0s1
ZINC000002100535
ZINC000002100536
Check stock
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