Vitas-M small molecule compound

(6Z)-5-imino-6-{3-methoxy-4-[3-(2-methylphenoxy)propoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STK558688
SMILES COc1cc(ccc1OCCCOc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

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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 C28H25N5O4S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4S/c1-18-7-3-4-9-22(18)36-13-6-14-37-23-11-10-19(16-24(23)35-2)15-21-25(29)33-28(31-26(21)34)38-27(32-33)20-8-5-12-30-17-20/h3-5,7-12,15-17,29H,6,13-14H2,1-2H3/b21-15-,29-25-
InChIKey
WNVRMZNSIIJCEF-XKWYAVLBSA-N
Synonyms
587000-05-3
(6Z)5imino6(3methoxy4(3(2methylphenoxy)propoxy)benzylidene)2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(3methoxy4(3(otolyloxy)propoxy)benzylidene)2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
587000053
COc1cc(ccc1OCCCOc1ccccc1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04033982
ZINC000101090060

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Available files

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