Vitas-M small molecule compound
3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]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
STL539829
SMILES CCNC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc2c(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 C30H30N4O5 MW 526.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O5/c1-2-31-30(37)21-8-9-25(33-15-20-12-22(17-33)24-4-3-5-29(36)34(24)16-20)23(14-21)32-28(35)11-7-19-6-10-26-27(13-19)39-18-38-26/h3-11,13-14,20,22H,2,12,15-18H2,1H3,(H,31,37)(H,32,35)/b11-7+/t20-,22+/m0/s1InChIKey
UXBBWVJPJWVYDY-SJNOUNNOSA-NSynonyms
3(((2E)3(13benzodioxol5yl)prop2enoyl)amino)Nethyl4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzamide
3((E)3(benzo(d)(13)dioxol5yl)acrylamido)Nethyl4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)benzamide
CCNC(=O)c1ccc(c(c1)NC(=O)C=Cc1ccc2c(c1)OCO2)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC30H30N4O5c123130(37)218925(3315201222(1733)2443529(36)34(24)1620)23(1421)3228(35)117196102627(1319)39183826h31113142022H2121518H21H3(H3137)(H3235)b117+t2022+m0s1
ZINC000097971870
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