Vitas-M small molecule compound
(6Z)-6-(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK078929
SMILES COc1cc(cc(c1OCCOc1cc(C)ccc1C(C)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
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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 C32H31ClN4O5S MW 619.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31ClN4O5S/c1-19(2)23-11-10-20(3)14-26(23)40-12-13-41-29-25(33)16-21(17-27(29)39-4)15-24-30(34)37-32(35-31(24)38)43-28(36-37)18-42-22-8-6-5-7-9-22/h5-11,14-17,19,34H,12-13,18H2,1-4H3/b24-15-,34-30-InChIKey
JMKNMDXMRZCMQX-JESUPHAKSA-NSynonyms
(6Z)6(3chloro5methoxy4(2(5methyl2(propan2yl)phenoxy)ethoxy)benzylidene)5imino2(phenoxymethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1cc(C)ccc1C(C)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD08672667
STK078929
ZINC000097959052
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