Vitas-M small molecule compound
methyl (2Z)-2-[(6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)imino]-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL544780
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1C(C)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 C35H44N4O8S MW 680.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N4O8S/c1-19(2)33-30(34(43)47-7)39-35(48-33)38-28(42)11-9-8-10-16-36-25-15-13-22-23(18-26(25)41)24(37-20(3)40)14-12-21-17-27(44-4)31(45-5)32(46-6)29(21)22/h13,15,17-19,24H,8-12,14,16H2,1-7H3,(H,36,41)(H,37,40)(H,38,39,42)InChIKey
MQUQKIFKNUZAPC-UHFFFAOYSA-NSynonyms
110209610
InChI=1SC35H44N4O8Sc119(2)3330(34(43)477)3935(4833)3828(42)11981016362515132223(1826(25)41)24(3720(3)40)1412211727(444)31(455)32(466)29(21)22h1315171924H8121416H217H3(H3641)(H3740)(H383942)
methyl(2Z)2((6((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2(6((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)5propan2yl13thiazole4carboxylate
MFCD31756116
ZINC000150653425
ZINC000252538097
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