Vitas-M small molecule compound
2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Catalog ID
STK703042
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)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 C33H29N5O4S MW 591.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O4S/c1-21(2)17-18-41-26-15-13-23(14-16-26)30-24(20-37(35-30)25-9-5-4-6-10-25)19-29-32(40)38-33(43-29)34-31(36-38)27-11-7-8-12-28(27)42-22(3)39/h4-16,19-21H,17-18H2,1-3H3/b29-19-InChIKey
XHMFWJSGJJWIHF-CEUNXORHSA-NSynonyms
(2((5Z)5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5OC(=O)C)S3)C6=CC=CC=C6
CC(CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1)C
InChI=1SC33H29N5O4Sc121(2)17184126151323(141626)3024(2037(3530)2595461025)192932(40)3833(4329)3431(3638)2711781228(27)4222(3)39h4161921H1718H213H3b2919
MFCD02989970
ZINC000033355393
ZINC33355393
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