Vitas-M small molecule compound
(2Z)-6-(4-methylbenzyl)-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)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
STK799466
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)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 C33H27N5O3S MW 573.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N5O3S/c1-4-16-41-28-15-14-24(17-22(28)3)30-25(20-37(36-30)26-8-6-5-7-9-26)19-29-32(40)38-33(42-29)34-31(39)27(35-38)18-23-12-10-21(2)11-13-23/h4-15,17,19-20H,1,16,18H2,2-3H3/b29-19-InChIKey
RNWWDRPGMVCBBF-CEUNXORHSA-NSynonyms
(2Z)6((4METHYLPHENYL)METHYL)2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methylbenzyl)2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methylbenzyl)2Hthiazolo(32b)(124)triazine37dione
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCC=C)C)C6=CC=CC=C6)SC3=NC2=O
InChI=1SC33H27N5O3Sc14164128151424(1722(28)3)3025(2037(3630)268657926)192932(40)3833(4229)3431(39)27(3538)1823121021(2)111323h415171920H11618H223H3b2919
MFCD03535615
ZINC000001872742
ZINC01872742
ZINC1872742
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