Vitas-M small molecule compound
4-(5,7-dihydroxy-6,8-bis{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-chromen-3-yl)phenyl hexopyranoside
Catalog ID
STL035078
SMILES OCCN1CCN(CC1)Cc1c(O)c(CN2CCN(CC2)CCO)c2c(c1O)c(=O)c(co2)c1ccc(cc1)OC1OC(CO)C(C(C1O)O)O
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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 C35H48N4O12 MW 716.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H48N4O12/c40-15-13-36-5-9-38(10-6-36)17-23-28(43)24(18-39-11-7-37(8-12-39)14-16-41)34-27(29(23)44)30(45)25(20-49-34)21-1-3-22(4-2-21)50-35-33(48)32(47)31(46)26(19-42)51-35/h1-4,20,26,31-33,35,40-44,46-48H,5-19H2InChIKey
NMBKFYBOPIMQKJ-UHFFFAOYSA-NSynonyms
4(57dihydroxy68bis((4(2hydroxyethyl)piperazin1yl)methyl)4oxo4Hchromen3yl)phenylhexopyranoside
57dihydroxy68bis((4(2hydroxyethyl)piperazin1yl)methyl)3(4(345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)chromen4one
C1CN(CCN1CCO)CC2=C(C3=C(C(=C2O)CN4CCN(CC4)CCO)OC=C(C3=O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O
InChI=1SC35H48N4O12c401513365938(10636)172328(43)24(183911737(81239)141641)3427(29(23)44)30(45)25(204934)211322(4221)503533(48)32(47)31(46)26(1942)5135h14202631333540444648H519H2
MFCD18191979
ZINC000253531256
ZINC000253531257
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