Vitas-M small molecule compound
(2Z)-2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
Catalog ID
STK766836
SMILES Fc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3)C(=O)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 C24H17FN4O3S2 MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17FN4O3S2/c1-12(30)28-11-14(20(27-28)13-6-8-15(25)9-7-13)10-18-22(32)29-23-19(21(31)26-24(29)34-18)16-4-2-3-5-17(16)33-23/h6-11H,2-5H2,1H3/b18-10-InChIKey
QEUSHMLSQZDEGV-ZDLGFXPLSA-NSynonyms
(2Z)2((1acetyl3(4fluorophenyl)1Hpyrazol4yl)methylidene)6789tetrahydro5H(1)benzothieno(32e)(13)thiazolo(32a)pyrimidine15(2H)dione
CC(=O)N1C=C(C(=N1)C2=CC=C(C=C2)F)C=C3C(=O)N4C5=C(C6=C(S5)CCCC6)C(=O)N=C4S3
Fc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3)C(=O)C
InChI=1SC24H17FN4O3S2c112(30)281114(20(2728)136815(25)9713)101822(32)292319(21(31)2624(29)3418)16423517(16)3323h611H25H21H3b1810
MFCD03018010
ZINC000012364771
ZINC12364771
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