Vitas-M small molecule compound

(2Z)-6-(4-methoxybenzyl)-2-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK818040
SMILES COc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1cn(nc1c1ccc(c(c1)C)OCC(C)C)c1ccccc1)/c2=O

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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 C34H31N5O4S MW 605.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O4S/c1-21(2)20-43-29-15-12-24(16-22(29)3)31-25(19-38(37-31)26-8-6-5-7-9-26)18-30-33(41)39-34(44-30)35-32(40)28(36-39)17-23-10-13-27(42-4)14-11-23/h5-16,18-19,21H,17,20H2,1-4H3/b30-18-
InChIKey
FQUWDSXTRKCUES-YKQZZPSBSA-N
Synonyms
956629-54-2
(2Z)6((4METHOXYPHENYL)METHYL)2((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methoxybenzyl)2((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4isobutoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
956629542
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)OC)S3)C6=CC=CC=C6)OCC(C)C
COc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1cn(nc1c1ccc(c(c1)C)OCC(C)C)c1ccccc1)c2=O
InChI=1SC34H31N5O4Sc121(2)204329151224(1622(29)3)3125(1938(3731)268657926)183033(41)3934(4430)3532(40)28(3639)1723101327(424)141123h516181921H1720H214H3b3018
MFCD05727757
ZINC000097946748
ZINC97946748

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Available files

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