Vitas-M small molecule compound
N~2~-{[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetyl}-N-1,3-thiazol-2-ylglycinamide
Catalog ID
STL561656
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCC(=O)Nc1nccs1)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C32H28ClN3O9S MW 666.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O9S/c1-15-11-20-24(29(39)32(15)30(40)25-19(42-3)13-21(43-4)26(33)28(25)45-32)18(27(44-20)16-5-7-17(41-2)8-6-16)12-22(37)35-14-23(38)36-31-34-9-10-46-31/h5-10,13,15H,11-12,14H2,1-4H3,(H,35,37)(H,34,36,38)/t15-,32+/m1/s1InChIKey
NRNVZNGDWJBUSG-YPSMLTEGSA-NSynonyms
145705013
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(2oxo2(thiazol2ylamino)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2oxo2(13thiazol2ylamino)ethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCC(=O)Nc1nccs1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC32H28ClN3O9Sc115112024(29(39)32(15)30(40)2519(423)1321(434)26(33)28(25)4532)18(27(4420)165717(412)8616)1222(37)351423(38)3631349104631h5101315H111214H214H3(H3537)(H343638)t1532+m1s1
MFCD32650721
N~2~(((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetyl)N13thiazol2ylglycinamide
N2(((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)ACETYL)N13THIAZOL2YLGLYCINAMIDE
ZINC001848442895
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