Vitas-M small molecule compound
(2S,6'R)-7-chloro-9'-(2-hydroxy-7-methoxyquinolin-3-yl)-4,6-dimethoxy-6'-methyl-4',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Catalog ID
STL549527
SMILES COc1ccc2c(c1)nc(c(c2)C1n2ncnc2NC2=C1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)O
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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 C29H24ClN5O7 MW 589.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN5O7/c1-12-7-17-20(25(36)29(12)26(37)21-18(40-3)10-19(41-4)22(30)24(21)42-29)23(35-28(34-17)31-11-32-35)15-8-13-5-6-14(39-2)9-16(13)33-27(15)38/h5-6,8-12,23H,7H2,1-4H3,(H,33,38)(H,31,32,34)/t12-,23?,29+/m1/s1InChIKey
VYVVYIYCLJAITG-QBVFWYJDSA-NSynonyms
(2~(S)6~(R))7chloro46dimethoxy9(7methoxy2oxo1~(H)quinolin3yl)6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
(2S6R)7chloro9(2hydroxy7methoxyquinolin3yl)46dimethoxy6methyl4569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
135639824
InChI=1SC29H24ClN5O7c11271720(25(36)29(12)26(37)2118(403)1019(414)22(30)24(21)4229)23(3528(3417)31113235)158135614(392)916(13)3327(15)38h5681223H7H214H3(H3338)(H313234)t1223?29+m1s1
ZINC000824757907
ZINC000824757908
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