Vitas-M small molecule compound

(2Z)-6-(4-methylbenzyl)-2-({3-[4-(3-methylbutoxy)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
STK799474
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1)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 C34H31N5O3S MW 589.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O3S/c1-22(2)17-18-42-28-15-13-25(14-16-28)31-26(21-38(37-31)27-7-5-4-6-8-27)20-30-33(41)39-34(43-30)35-32(40)29(36-39)19-24-11-9-23(3)10-12-24/h4-16,20-22H,17-19H2,1-3H3/b30-20-
InChIKey
LSPUAFAKKNSLDS-COEJQBHMSA-N
Synonyms

(2Z)2((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6((4METHYLPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methylbenzyl)2((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)6(4methylbenzyl)2Hthiazolo(32b)(124)triazine37dione
CC(CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1)C
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCCC(C)C)C6=CC=CC=C6)SC3=NC2=O
InChI=1SC34H31N5O3Sc122(2)17184228151325(141628)3126(2138(3731)277546827)203033(41)3934(4330)3532(40)29(3639)192411923(3)101224h4162022H1719H213H3b3020
MFCD03535607
ZINC000001882874
ZINC01882874
ZINC1882874

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Available files

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