Vitas-M small molecule compound
[1-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-6,6-dimethyl-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid
Catalog ID
STK609582
SMILES O=C(Cn1c(=O)n(CC(=O)O)c(=O)c2c1sc1c2CC(OC1)(C)C)NCc1ccco1
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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 C20H21N3O7S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O7S/c1-20(2)6-12-13(10-30-20)31-18-16(12)17(27)22(9-15(25)26)19(28)23(18)8-14(24)21-7-11-4-3-5-29-11/h3-5H,6-10H2,1-2H3,(H,21,24)(H,25,26)InChIKey
LNFHPQARNOXFQW-UHFFFAOYSA-NSynonyms
904010-78-2(1(2((furan2ylmethyl)amino)2oxoethyl)66dimethyl24dioxo1568tetrahydro2Hpyrano(4345)thieno(23d)pyrimidin3(4H)yl)aceticacid
2(1(2((furan2ylmethyl)amino)2oxoethyl)66dimethyl24dioxo56dihydro1Hpyrano(4345)thieno(23d)pyrimidin3(2H4H8H)yl)aceticacid
2(1(2(furan2ylmethylamino)2oxoethyl)66dimethyl24dioxo58dihydropyrano(23)thieno(24b)pyrimidin3yl)aceticacid
904010782
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)NCC4=CC=CO4)CC(=O)O)C
InChI=1SC20H21N3O7Sc120(2)61213(103020)311816(12)17(27)22(915(25)26)19(28)23(18)814(24)217114352911h35H610H212H3(H2124)(H2526)
MFCD08292939
ZINC000013610008
ZINC13610008
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