Vitas-M small molecule compound
(2Z)-6-(4-methoxybenzyl)-2-({3-[2-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
STK817464
SMILES C=CCOc1ccc(c(c1)C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)OC)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 C33H27N5O4S MW 589.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N5O4S/c1-4-16-42-26-14-15-27(21(2)17-26)30-23(20-37(36-30)24-8-6-5-7-9-24)19-29-32(40)38-33(43-29)34-31(39)28(35-38)18-22-10-12-25(41-3)13-11-22/h4-15,17,19-20H,1,16,18H2,2-3H3/b29-19-InChIKey
YJMKUJWAPKWGDQ-CEUNXORHSA-NSynonyms
714943-14-3(2Z)6((4METHOXYPHENYL)METHYL)2((3(2METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methoxybenzyl)2((3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4(allyloxy)2methylphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
714943143
C=CCOc1ccc(c(c1)C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)OC)c1ccccc1
CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)OC)S3)C6=CC=CC=C6
InChI=1SC33H27N5O4Sc14164226141527(21(2)1726)3023(2037(3630)248657924)192932(40)3833(4329)3431(39)28(3538)1822101225(413)131122h415171920H11618H223H3b2919
MFCD05736871
ZINC000002589213
ZINC2589213
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