Vitas-M small molecule compound
(10E)-7-(4-fluorophenyl)-10-[3-methyl-4-(pyrrolidin-1-yl)benzylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK132805
SMILES Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(c(c1)C)N1CCCC1)/s3)c1c(CC2)cccc1
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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 C32H28FN3OS MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28FN3OS/c1-20-18-21(8-15-27(20)35-16-4-5-17-35)19-28-31(37)36-30(23-9-12-24(33)13-10-23)26-14-11-22-6-2-3-7-25(22)29(26)34-32(36)38-28/h2-3,6-10,12-13,15,18-19,30H,4-5,11,14,16-17H2,1H3/b28-19+InChIKey
CYNJICPKAQLOIR-TURZUDJPSA-NSynonyms
(10E)7(4FLUOROPHENYL)10(3METHYL4(PYRROLIDIN1YL)BENZYLIDENE)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
CC1=C(C=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=C(C=C6)F)N7CCCC7
Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(c(c1)C)N1CCCC1)s3)c1c(CC2)cccc1
InChI=1SC32H28FN3OSc1201821(81527(20)3516451735)192831(37)3630(2391224(33)131023)26141122623725(22)29(26)3432(36)3828h23610121315181930H4511141617H21H3b2819+
MFCD08680093
ZINC000009850478
ZINC000009850479
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