Vitas-M small molecule compound
propan-2-yl 2-({[2-(3-butoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK428587
SMILES CCCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2
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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 C38H46N2O4S MW 626.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N2O4S/c1-4-5-23-43-28-18-16-17-27(24-28)33-25-31(29-19-14-15-21-32(29)39-33)36(41)40-37-35(38(42)44-26(2)3)30-20-12-10-8-6-7-9-11-13-22-34(30)45-37/h14-19,21,24-26H,4-13,20,22-23H2,1-3H3,(H,40,41)InChIKey
QNWFPBWFZLBXRO-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC(C)C
InChI=1SC38H46N2O4Sc14523432818161727(2428)332531(291914152132(29)3933)36(41)403735(38(42)4426(2)3)30201210867911132234(30)4537h1419212426H413202223H213H3(H4041)
MFCD03233962
propan2yl2(((2(3butoxyphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propan2yl2((2(3butoxyphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000097948993
ZINC97948993
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