Vitas-M small molecule compound
ethyl 4-[({[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL409996
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
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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 C29H31N5O5S2 MW 593.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O5S2/c1-4-38-28(36)17-5-7-18(8-6-17)32-21(35)15-40-27-24-23(30-16-31-27)22-19-13-29(2,3)39-14-20(19)25(33-26(22)41-24)34-9-11-37-12-10-34/h5-8,16H,4,9-15H2,1-3H3,(H,32,35)InChIKey
LHGVHQSLKOFEFH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC4=NC(=C5COC(CC5=C34)(C)C)N6CCOCC6
ethyl4((((22dimethyl5(morpholin4yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)acetyl)amino)benzoate
ethyl4(2((22dimethyl5morpholino24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)acetamido)benzoate
InChI=1SC29H31N5O5S2c143828(36)175718(8617)3221(35)1540272423(30163127)22191329(23)391420(19)25(3326(22)4124)3491137121034h5816H4915H213H3(H3235)
MFCD03290497
ZINC000103623175
ZINC103623175
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