Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({(2R)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propan-2-yl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL546699
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C)NC(=O)C
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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 C35H40N4O7 MW 628.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N4O7/c1-19(35(43)38-16-21-13-23(18-38)28-7-6-8-31(42)39(28)17-21)36-27-12-10-24-25(15-29(27)41)26(37-20(2)40)11-9-22-14-30(44-3)33(45-4)34(46-5)32(22)24/h6-8,10,12,14-15,19,21,23,26H,9,11,13,16-18H2,1-5H3,(H,36,41)(H,37,40)/t19-,21+,23-,26+InChIKey
SDTYOGGPSQXNCM-FECNHWASSA-NSynonyms
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C)NC(=O)C
InChI=1SC35H40N4O7c119(35(43)3816211323(1838)2876831(42)39(28)1721)362712102425(1529(27)41)26(3720(2)40)119221430(443)33(454)34(465)32(22)24h681012141519212326H911131618H215H3(H3641)(H3740)t1921+2326+m1s1
N((7S)123trimethoxy9oxo10(((2R)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy9oxo10(((R)1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propan2yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000225415202
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.