Vitas-M small molecule compound

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

Catalog ID
STK704930
SMILES COc1cc(ccc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1

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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 C30H23N5O4S MW 549.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N5O4S/c1-38-24-14-13-20(16-25(24)39-2)27-21(18-34(33-27)22-11-7-4-8-12-22)17-26-29(37)35-30(40-26)31-28(36)23(32-35)15-19-9-5-3-6-10-19/h3-14,16-18H,15H2,1-2H3/b26-17-
InChIKey
HLNIUANDFNISGM-ONUIUJJFSA-N
Synonyms

(2Z)6benzyl2((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6benzyl2((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazine37dione
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C6=CC=CC=C6)OC
COc1cc(ccc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1
InChI=1SC30H23N5O4Sc13824141320(1625(24)392)2721(1834(3327)22117481222)172629(37)3530(4026)3128(36)23(3235)151995361019h3141618H15H212H3b2617
MFCD03498483
ZINC000098046294
ZINC98046294

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Available files

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