Vitas-M small molecule compound
(10Z)-7-(4-fluorophenyl)-10-[3-nitro-4-(pyrrolidin-1-yl)benzylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK136950
SMILES Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(c(c1)[N+](=O)[O-])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 C31H25FN4O3S MW 552.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25FN4O3S/c32-22-11-8-21(9-12-22)29-24-13-10-20-5-1-2-6-23(20)28(24)33-31-35(29)30(37)27(40-31)18-19-7-14-25(26(17-19)36(38)39)34-15-3-4-16-34/h1-2,5-9,11-12,14,17-18,29H,3-4,10,13,15-16H2/b27-18-InChIKey
YSVGJTOFNXOOTP-IMRQLAEWSA-NSynonyms
(10Z)7(4FLUOROPHENYL)10(3NITRO4(PYRROLIDIN1YL)BENZYLIDENE)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
C1CCN(C1)C2=C(C=C(C=C2)C=C3C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=C(C=C7)F)(N+)(=O)(O)
Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCC1)s3)c1c(CC2)cccc1
InChI=1SC31H25FN4O3Sc322211821(91222)2924131020512623(20)28(24)333135(29)30(37)27(4031)181971425(26(1719)36(38)39)3415341634h1259111214171829H3410131516H2b2718
MFCD08680092
ZINC000101596510
ZINC000101596518
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