Vitas-M small molecule compound
(10Z)-7-(4-ethoxyphenyl)-10-[2-methyl-4-(pyrrolidin-1-yl)benzylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL415663
SMILES CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(cc1C)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 C34H33N3O2S MW 547.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O2S/c1-3-39-27-15-11-24(12-16-27)32-29-17-13-23-8-4-5-9-28(23)31(29)35-34-37(32)33(38)30(40-34)21-25-10-14-26(20-22(25)2)36-18-6-7-19-36/h4-5,8-12,14-16,20-21,32H,3,6-7,13,17-19H2,1-2H3/b30-21-InChIKey
GOBMQTIIWSGMLN-OFWBYEQRSA-NSynonyms
(10Z)7(4ethoxyphenyl)10(2methyl4(pyrrolidin1yl)benzylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=C(C=C(C=C6)N7CCCC7)C)S5
CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1C)N1CCCC1)s3)c1c(CC2)cccc1
InChI=1SC34H33N3O2Sc133927151124(121627)3229171323845928(23)31(29)353437(32)33(38)30(4034)2125101426(2022(25)2)3618671936h458121416202132H367131719H212H3b3021
MFCD05042145
ZINC000003767739
ZINC000003767741
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