Vitas-M small molecule compound
N-[(4-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}phenyl)carbonyl]-beta-alanine
Catalog ID
STL550459
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(cc1)C(=O)NCCC(=O)O)Cl
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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 C26H25ClN2O8 MW 528.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O8/c1-13-10-16(29-15-6-4-14(5-7-15)25(34)28-9-8-20(31)32)11-19(30)26(13)24(33)21-17(35-2)12-18(36-3)22(27)23(21)37-26/h4-7,11-13,29H,8-10H2,1-3H3,(H,28,34)(H,31,32)/t13-,26+/m1/s1InChIKey
BVLNVKSGADYDEV-SRGMZFCMSA-NSynonyms
125427695
3((4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)benzoyl)amino)propanoicacid
3(4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)benzamido)propanoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)C(=O)NCCC(=O)O)Cl
InChI=1SC26H25ClN2O8c1131016(29156414(5715)25(34)289820(31)32)1119(30)26(13)24(33)2117(352)1218(363)22(27)23(21)3726h47111329H810H213H3(H2834)(H3132)t1326+m1s1
N((4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)phenyl)carbonyl)betaalanine
ZINC000524729080
ZINC524729080
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