Vitas-M small molecule compound
N-[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]histidine
Catalog ID
STL149083
SMILES OC(=O)C(Cc1c[nH]cn1)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-11(2)12-3-5-14(6-4-12)25-18(27)15(17(26)24-20(25)30)9-22-16(19(28)29)7-13-8-21-10-23-13/h3-6,8-11,16,22H,7H2,1-2H3,(H,21,23)(H,28,29)(H,24,26,30)/b15-9+InChIKey
KTAFVAYRGTYUSS-OQLLNIDSSA-NSynonyms
2(((E)(46DIOXO1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)3(1HIMIDAZOL5YL)PROPANOICACID
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CNC(CC3=CN=CN3)C(=O)O)C(=O)NC2=S
InChI=1SC20H21N5O4Sc111(2)123514(6412)2518(27)15(17(26)2420(25)30)92216(19(28)29)713821102313h368111622H7H212H3(H2123)(H2829)(H242630)b159+
MFCD04073442
N((E)(46dioxo1(4(propan2yl)phenyl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)histidine
OC(=O)C(Cc1c(nH)cn1)NC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S
ZINC000020358691
ZINC000020358693
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