Vitas-M small molecule compound

(2E)-6-acetyl-2-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one

Catalog ID
STK675072
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1cc(I)c(c(c1)OC)OCc1cccc3c1cccc3)/s2)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 C35H29IN2O5S MW 716.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29IN2O5S/c1-20-31(21(2)39)32(24-12-14-26(41-3)15-13-24)38-34(40)30(44-35(38)37-20)18-22-16-28(36)33(29(17-22)42-4)43-19-25-10-7-9-23-8-5-6-11-27(23)25/h5-18,32H,19H2,1-4H3/b30-18+
InChIKey
NZZXUJCBKAZYBS-UXHLAJHPSA-N
Synonyms

(2E)6ACETYL2((3IODO5METHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL5H(13)THIAZOLO(32A)PYRIMIDIN3ONE
(2E)6acetyl2(3iodo5methoxy4(naphthalen1ylmethoxy)benzylidene)5(4methoxyphenyl)7methyl5H(13)thiazolo(32a)pyrimidin3(2H)one
6ACETYL2(3IODO5METHOXY4(1NAPHTHYLMETHOXY)BENZYLIDENE)5(4METHOXYPHENYL)7METHYL5H(13)THIAZOLO(32A)PYRIMIDIN3(2H)ONE
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC5=CC=CC=C54)OC)SC2=N1)C6=CC=C(C=C6)OC)C(=O)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1cccc3c1cccc3)s2)C(=O)C
InChI=1SC35H29IN2O5Sc12031(21(2)39)32(24121426(413)151324)3834(40)30(4435(38)3720)18221628(36)33(29(1722)424)4319251079238561127(23)25h51832H19H214H3b3018+
MFCD01572527
ZINC000008424325
ZINC000008424329

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Available files

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