Vitas-M small molecule compound

N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)-4-propoxybenzamide

Catalog ID
STL527727
SMILES CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-2-14-35-23-10-6-20(7-11-23)27(32)28-22-8-12-24(13-9-22)36(33,34)29-16-19-15-21(18-29)25-4-3-5-26(31)30(25)17-19/h3-13,19,21H,2,14-18H2,1H3,(H,28,32)/t19-,21+/m0/s1
InChIKey
WPBKCNXHRWUXTE-PZJWPPBQSA-N
Synonyms
1212477-73-0
~(N)(4(((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)sulfonyl)phenyl)4propoxybenzamide
1212477730
1748220
CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC27H29N3O5Sc1214352310620(71123)27(32)282281224(13922)36(3334)2916191521(1829)2543526(31)30(25)1719h3131921H21418H21H3(H2832)t1921+m0s1
MFCD03661776
N(4(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)sulfonyl)phenyl)4propoxybenzamide
N(4(((1R5R)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)sulfonyl)phenyl)4propoxybenzamide
ZINC000002091189
ZINC2091189

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Available files

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