Vitas-M small molecule compound

(6E)-6-(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STK091242
SMILES C=CCc1ccccc1OCCOc1c(Br)cc(cc1OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(C)C

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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 C27H27BrN4O4S MW 583.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN4O4S/c1-5-8-18-9-6-7-10-21(18)35-11-12-36-23-20(28)14-17(15-22(23)34-4)13-19-24(29)32-27(30-25(19)33)37-26(31-32)16(2)3/h5-7,9-10,13-16,29H,1,8,11-12H2,2-4H3/b19-13+,29-24+
InChIKey
DISMADHYWCSMRF-IDAHTNAPSA-N
Synonyms

(6E)6(3bromo5methoxy4(2(2(prop2en1yl)phenoxy)ethoxy)benzylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
C=CCc1ccccc1OCCOc1c(Br)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD03227368
STK091242
ZINC000097959204

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Available files

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