Vitas-M small molecule compound
methyl 4-chloro-3-({[(1R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL541250
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)c(Cl)ccc2
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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 C23H23ClN4O4 MW 454.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O4/c1-32-23(31)22-21(20-15(24)4-2-5-16(20)25-22)26-18(29)12-27-9-13-8-14(11-27)17-6-3-7-19(30)28(17)10-13/h2-7,13-14,25H,8-12H2,1H3,(H,26,29)/t13-,14+/m0/s1InChIKey
XNHAYVGJWRCDTD-UONOGXRCSA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)CN1C(C@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)c(Cl)ccc2
InChI=1SC23H23ClN4O4c13223(31)2221(2015(24)42516(20)2522)2618(29)1227913814(1127)1763719(30)28(17)1013h27131425H812H21H3(H2629)t1314+m0s1
methyl4chloro3((((1R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)acetyl)amino)1Hindole2carboxylate
methyl4chloro3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetamido)1Hindole2carboxylate
MFCD05671374
ZINC000100760178
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