Vitas-M small molecule compound
(2Z)-6-benzyl-2-({3-[3-methyl-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
STK703308
SMILES CC(CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)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)16-17-42-29-15-14-25(18-23(29)3)31-26(21-38(37-31)27-12-8-5-9-13-27)20-30-33(41)39-34(43-30)35-32(40)28(36-39)19-24-10-6-4-7-11-24/h4-15,18,20-22H,16-17,19H2,1-3H3/b30-20-InChIKey
FASFAVCSTHMAFD-COEJQBHMSA-NSynonyms
(2Z)6benzyl2((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6BENZYL2((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)6benzyl2((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2Hthiazolo(32b)(124)triazine37dione
CC(CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C6=CC=CC=C6)OCCC(C)C
InChI=1SC34H31N5O3Sc122(2)16174229151425(1823(29)3)3126(2138(3731)27128591327)203033(41)3934(4330)3532(40)28(3639)1924106471124h415182022H161719H213H3b3020
MFCD02993169
ZINC000097999601
ZINC97999601
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