Vitas-M small molecule compound
(1R,5S)-3-({4-[4-(1,3-benzothiazol-2-ylsulfanyl)phthalazin-1-yl]phenyl}carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL000331
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)c1nnc(c2c1cccc2)Sc1nc2c(s1)cccc2
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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 C33H25N5O2S2 MW 587.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N5O2S2/c39-29-11-5-9-27-23-16-20(18-38(27)29)17-37(19-23)32(40)22-14-12-21(13-15-22)30-24-6-1-2-7-25(24)31(36-35-30)42-33-34-26-8-3-4-10-28(26)41-33/h1-15,20,23H,16-19H2/t20-,23+/m0/s1InChIKey
YUXKKIPDHIWFOS-NZQKXSOJSA-NSynonyms
(1R5S)3((4(4(13benzothiazol2ylsulfanyl)phthalazin1yl)phenyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
3(4(4(benzo(d)thiazol2ylthio)phthalazin1yl)benzoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)C4=CC=C(C=C4)C5=NN=C(C6=CC=CC=C65)SC7=NC8=CC=CC=C8S7
InChI=1SC33H25N5O2S2c3929115927231620(1838(27)29)1737(1923)32(40)22141221(131522)3024612725(24)31(363530)423334268341028(26)4133h1152023H1619H2t2023+m1s1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)c1nnc(c2c1cccc2)Sc1nc2c(s1)cccc2
O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)c1nnc(c2c1cccc2)Sc1nc2c(s1)cccc2
ZINC000102851769
ZINC103546943
Check stock
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Check stock on Vitas-MAvailable files
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