Vitas-M small molecule compound
ethyl N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}phenylalaninate
Catalog ID
STL553382
SMILES CCOC(=O)C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-2-29-22(28)19(12-16-7-4-3-5-8-16)24-23(30)25-13-17-11-18(15-25)20-9-6-10-21(27)26(20)14-17/h3-10,17-19H,2,11-15H2,1H3,(H,24,30)/t17-,18?,19?/m0/s1InChIKey
RHXCZTGKYSMARR-VIQWUECVSA-NSynonyms
16399853
CCOC(=O)C(NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
ethyl2(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)3phenylpropanoate
ethyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)3phenylpropanoate
ethylN(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)phenylalaninate
InChI=1SC23H27N3O3Sc122922(28)19(12167435816)2423(30)2513171118(1525)20961021(27)26(20)1417h3101719H21115H21H3(H2430)t1718?19?m0s1
ZINC000002105032
ZINC000002105034
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