Vitas-M small molecule compound
5-({2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188187
SMILES CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C23CC4CC(C3)CC(C2)C4)C)C1=O
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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 C29H33N3O2S MW 487.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S/c1-17-9-22(13-25-26(33)30(3)28(35)31(4)27(25)34)18(2)32(17)24-7-5-23(6-8-24)29-14-19-10-20(15-29)12-21(11-19)16-29/h5-9,13,19-21H,10-12,14-16H2,1-4H3InChIKey
GIAWXGUQYRATBI-UHFFFAOYSA-NSynonyms
5((1(4(1ADAMANTYL)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((1(4ADAMANTANYLPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)methylidene)13dimethyl2thioxodihydropyrimidine46(1H5H)dione
CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C6C(=O)N(C(=S)N(C6=O)C)C
InChI=1SC29H33N3O2Sc117922(132526(33)30(3)28(35)31(4)27(25)34)18(2)32(17)247523(6824)2914191020(1529)1221(1119)1629h59131921H10121416H214H3
MFCD02602891
ZINC000004083672
ZINC04083672
ZINC4083672
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