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-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL543705
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1c1ccccc1
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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 C38H42N4O8S MW 714.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42N4O8S/c1-22(43)40-27-17-15-24-20-30(47-2)34(48-3)35(49-4)32(24)25-16-18-28(29(44)21-26(25)27)39-19-11-7-10-14-31(45)41-38-42-33(37(46)50-5)36(51-38)23-12-8-6-9-13-23/h6,8-9,12-13,16,18,20-21,27H,7,10-11,14-15,17,19H2,1-5H3,(H,39,44)(H,40,43InChIKey
NIEHAABHXAUTQI-UHFFFAOYSA-NSynonyms
110210402
InChI=1SC38H42N4O8Sc122(43)40271715242030(472)34(483)35(494)32(24)25161828(29(44)2126(25)27)3919117101431(45)41384233(37(46)505)36(5138)23128691323h68912131618202127H7101114151719H215H3(H3944)(H4043)(H414245)
methyl(2Z)2((6((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2(6((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)5phenyl13thiazole4carboxylate
MFCD31755902
ZINC000150653244
ZINC000252538794
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