Vitas-M small molecule compound
3-{[(1,3-benzodioxol-5-yloxy)acetyl]amino}-N-ethyl-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]benzamide
Catalog ID
STL539565
SMILES CCNC(=O)c1ccc(c(c1)NC(=O)COc1ccc2c(c1)OCO2)N1C[C@H]2C[C@@H](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 C29H30N4O6 MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O6/c1-2-30-29(36)19-6-8-24(32-13-18-10-20(15-32)23-4-3-5-28(35)33(23)14-18)22(11-19)31-27(34)16-37-21-7-9-25-26(12-21)39-17-38-25/h3-9,11-12,18,20H,2,10,13-17H2,1H3,(H,30,36)(H,31,34)/t18-,20+/m0/s1InChIKey
OOGXZCFANZSQOS-AZUAARDMSA-NSynonyms
3(((13benzodioxol5yloxy)acetyl)amino)Nethyl4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzamide
3(2(benzo(d)(13)dioxol5yloxy)acetamido)Nethyl4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)benzamide
CCNC(=O)c1ccc(c(c1)NC(=O)COc1ccc2c(c1)OCO2)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H30N4O6c123029(36)196824(3213181020(1532)2343528(35)33(23)1418)22(1119)3127(34)163721792526(1221)39173825h3911121820H2101317H21H3(H3036)(H3134)t1820+m0s1
ZINC000097971989
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