Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145996
SMILES CCCCCCCc1sc2=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)OCC)C)/C(=N)n2n1
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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 C27H33N5O2S MW 491.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O2S/c1-5-7-8-9-10-11-24-30-32-25(28)23(26(33)29-27(32)35-24)17-20-16-18(3)31(19(20)4)21-12-14-22(15-13-21)34-6-2/h12-17,28H,5-11H2,1-4H3/b23-17+,28-25-InChIKey
ONASKSQDNVYZLG-QBPIEZCMSA-NSynonyms
844453-96-9(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2heptyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844453969
CCCCCCCc1sc2=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)OCC)C)C(=N)n2n1
MFCD04156705
ZINC000101094791
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