Vitas-M small molecule compound
prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
Catalog ID
STK818098
SMILES C=CCOC(=O)c1sc(nc1C)N1C(=O)c2c(C1c1cccc(c1)OCCC(C)C)c(=O)c1c(o2)cccc1
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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 C30H28N2O6S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O6S/c1-5-14-37-29(35)27-18(4)31-30(39-27)32-24(19-9-8-10-20(16-19)36-15-13-17(2)3)23-25(33)21-11-6-7-12-22(21)38-26(23)28(32)34/h5-12,16-17,24H,1,13-15H2,2-4H3InChIKey
SOIZLEOKGXOMSI-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=CC=C5)OCCC(C)C)C(=O)OCC=C
InChI=1SC30H28N2O6Sc15143729(35)2718(4)3130(3927)3224(19981020(1619)36151317(2)3)2325(33)2111671222(21)3826(23)28(32)34h512161724H11315H224H3
MFCD06289479
prop2en1yl4methyl2(1(3(3methylbutoxy)phenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)13thiazole5carboxylate
PROP2ENYL4METHYL2(1(3(3METHYLBUTOXY)PHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)13THIAZOLE5CARBOXYLATE
ZINC000003643637
ZINC000003643640
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